Pyrazoles

Organic heterocyclic compounds that consists of a 5-membered ring of three carbon atoms and two adjacent nitrogen atoms with the formula: C₃H₃N₂H.

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Thermo Scientific Chemicals Allopurinol, 98%

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

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Specifications

PubChem CID	2094
CAS	315-30-0
Molecular Weight (g/mol)	136.11
ChEBI	CHEBI:40279
MDL Number	MFCD00599413
SMILES	O=C1N=CN=C2NNC=C12
Synonym	allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin
IUPAC Name	1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
InChI Key	OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula	C5H4N4O

7-Nitro-1H-indazole, 98%

CAS: 2942-42-9 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.136 MDL Number: MFCD00022789 InChI Key: PQCAUHUKTBHUSA-UHFFFAOYSA-N Synonym: 7-nitroindazole,1h-indazole, 7-nitro,7-ni,7-nitro-indazole,unii-ux0n37cmvh,ccris 3309,2h-indazole,7-nitro,ux0n37cmvh,7ni PubChem CID: 1893 IUPAC Name: 7-nitro-1H-indazole SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2

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Specifications

PubChem CID	1893
CAS	2942-42-9
Molecular Weight (g/mol)	163.136
MDL Number	MFCD00022789
SMILES	C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2
Synonym	7-nitroindazole,1h-indazole, 7-nitro,7-ni,7-nitro-indazole,unii-ux0n37cmvh,ccris 3309,2h-indazole,7-nitro,ux0n37cmvh,7ni
IUPAC Name	7-nitro-1H-indazole
InChI Key	PQCAUHUKTBHUSA-UHFFFAOYSA-N
Molecular Formula	C7H5N3O2

Potassium tris(1-pyrazolyl)borohydride, 93%

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N,N'-Di-BOC-1H-pyrazole-1-carboxamidine, 98%

CAS: 152120-54-2 Molecular Formula: C₁₄H₂₂N₄O₄ Molecular Weight (g/mol): 310.35 InChI Key: QFNFDHNZVTWZED-UHFFFAOYSA-N Synonym: n,n'-di-boc-1h-pyrazole-1-carboxamidine,bis-boc-pyrazolocarboxamidine,pyrazol boc 2,n,n-bis-boc-1-guanylpyrazole,n,n'-bis-boc-1-guanylpyrazol,n,n'-bis-boc-1-guanylpyrazole,n,n'-bisboc-pyrazole-1-carboximidamide,tert-butyl tert-butoxycarbonyl amino 1h-pyrazol-1-yl methylene carbamate,tert-butyl boc-amino 1h-pyrazol-1-yl methylene carbamate,1-n,n'-di-boc amidino pyrazole PubChem CID: 6383521 IUPAC Name: tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate SMILES: CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1

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Specifications

PubChem CID	6383521
CAS	152120-54-2
Molecular Weight (g/mol)	310.35
SMILES	CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1
Synonym	n,n'-di-boc-1h-pyrazole-1-carboxamidine,bis-boc-pyrazolocarboxamidine,pyrazol boc 2,n,n-bis-boc-1-guanylpyrazole,n,n'-bis-boc-1-guanylpyrazol,n,n'-bis-boc-1-guanylpyrazole,n,n'-bisboc-pyrazole-1-carboximidamide,tert-butyl tert-butoxycarbonyl amino 1h-pyrazol-1-yl methylene carbamate,tert-butyl boc-amino 1h-pyrazol-1-yl methylene carbamate,1-n,n'-di-boc amidino pyrazole
IUPAC Name	tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate
InChI Key	QFNFDHNZVTWZED-UHFFFAOYSA-N
Molecular Formula	C₁₄H₂₂N₄O₄

1H-Indazole-6-carboxaldehyde, 97%

CAS: 669050-69-5 Molecular Formula: C₈H₆N₂O Molecular Weight (g/mol): 146.15 InChI Key: JTWYTTXTJFDYAG-UHFFFAOYSA-N Synonym: 1h-indazole-6-carboxaldehyde,6-formylindazole,6-formyl-1h-indazole,2h-indazole-6-carbaldehyde,indazole-6-carboxaldehyde,1h-indazole-6-cabaldehyde,pubchem23878,acmc-1bc45,2h-indazole-6-carboxaldehyde,1-h-indazole-6-carboxaldehyde PubChem CID: 18538368 IUPAC Name: 1H-indazole-6-carbaldehyde SMILES: C1=CC2=C(C=C1C=O)NN=C2

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Specifications

PubChem CID	18538368
CAS	669050-69-5
Molecular Weight (g/mol)	146.15
SMILES	C1=CC2=C(C=C1C=O)NN=C2
Synonym	1h-indazole-6-carboxaldehyde,6-formylindazole,6-formyl-1h-indazole,2h-indazole-6-carbaldehyde,indazole-6-carboxaldehyde,1h-indazole-6-cabaldehyde,pubchem23878,acmc-1bc45,2h-indazole-6-carboxaldehyde,1-h-indazole-6-carboxaldehyde
IUPAC Name	1H-indazole-6-carbaldehyde
InChI Key	JTWYTTXTJFDYAG-UHFFFAOYSA-N
Molecular Formula	C₈H₆N₂O

3,5-Dimethyl-1H-pyrazole, 99%

CAS: 67-51-6 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005243 InChI Key: SDXAWLJRERMRKF-UHFFFAOYSA-N Synonym: 3,5-dimethylpyrazole,1h-pyrazole, 3,5-dimethyl,3,5 dmp,pyrazole, 3,5-dimethyl,3,5-dwumetylopirazolu,unii-h21n865k9j,3,5-dwumetylopirazolu polish,3,5-dimethyl pyrazole,pyrazole,5-dimethyl,pubchem13256 PubChem CID: 6210 IUPAC Name: 3,5-dimethyl-1H-pyrazole SMILES: CC1=CC(C)=NN1

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Specifications

PubChem CID	6210
CAS	67-51-6
Molecular Weight (g/mol)	96.13
MDL Number	MFCD00005243
SMILES	CC1=CC(C)=NN1
Synonym	3,5-dimethylpyrazole,1h-pyrazole, 3,5-dimethyl,3,5 dmp,pyrazole, 3,5-dimethyl,3,5-dwumetylopirazolu,unii-h21n865k9j,3,5-dwumetylopirazolu polish,3,5-dimethyl pyrazole,pyrazole,5-dimethyl,pubchem13256
IUPAC Name	3,5-dimethyl-1H-pyrazole
InChI Key	SDXAWLJRERMRKF-UHFFFAOYSA-N
Molecular Formula	C5H8N2

2-Methyl-2H-indazole-3-carbaldehyde, 97%, Thermo Scientific™

CAS: 34252-54-5 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.18 MDL Number: MFCD00839530 InChI Key: SMWLSZQHLMZHHV-UHFFFAOYSA-N Synonym: 2-methyl-2h-indazole-3-carbaldehyde,2-methyl-3-formylindazole,2h-indazole-3-carboxaldehyde,2-methyl PubChem CID: 818117 IUPAC Name: 2-methylindazole-3-carbaldehyde SMILES: CN1N=C2C=CC=CC2=C1C=O

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Specifications

PubChem CID	818117
CAS	34252-54-5
Molecular Weight (g/mol)	160.18
MDL Number	MFCD00839530
SMILES	CN1N=C2C=CC=CC2=C1C=O
Synonym	2-methyl-2h-indazole-3-carbaldehyde,2-methyl-3-formylindazole,2h-indazole-3-carboxaldehyde,2-methyl
IUPAC Name	2-methylindazole-3-carbaldehyde
InChI Key	SMWLSZQHLMZHHV-UHFFFAOYSA-N
Molecular Formula	C9H8N2O

3-Nitro-1H-pyrazole, 97%, Thermo Scientific Chemicals

CAS: 26621-44-3 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00159621,MFCD00238787 InChI Key: MZRUFMBFIKGOAL-UHFFFAOYSA-N Synonym: 3-nitro-1h-pyrazole,3-nitropyrazole,1h-pyrazole, 3-nitro,3-nitro-2h-pyrazole,nitropyrazole,pyrazole, 3-nitro,5-nitro-1h-pyrazol,djw 94,djw-94,5-nitropyrazole PubChem CID: 123419 IUPAC Name: 5-nitro-1H-pyrazole SMILES: [O-][N+](=O)C1=CC=NN1

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Specifications

PubChem CID	123419
CAS	26621-44-3
Molecular Weight (g/mol)	113.08
MDL Number	MFCD00159621,MFCD00238787
SMILES	[O-][N+](=O)C1=CC=NN1
Synonym	3-nitro-1h-pyrazole,3-nitropyrazole,1h-pyrazole, 3-nitro,3-nitro-2h-pyrazole,nitropyrazole,pyrazole, 3-nitro,5-nitro-1h-pyrazol,djw 94,djw-94,5-nitropyrazole
IUPAC Name	5-nitro-1H-pyrazole
InChI Key	MZRUFMBFIKGOAL-UHFFFAOYSA-N
Molecular Formula	C3H3N3O2

[3-(2-Furyl)-1-methyl-1H-pyrazol-5-yl]methanol 97+%, Thermo Scientific™

CAS: 886851-33-8 Molecular Formula: C9H10N2O2 Molecular Weight (g/mol): 178.191 InChI Key: BYXYWFXMSJTOKB-UHFFFAOYSA-N Synonym: 3-2-furyl-1-methyl-1h-pyrazol-5-yl methanol,5-furan-2-yl-2-methylpyrazol-3-yl methanol,3-2-furyl-1-methylpyrazol-5-yl methan-1-ol,3-furan-2-yl-1-methyl-1h-pyrazol-5-yl methanol PubChem CID: 18525804 IUPAC Name: [5-(furan-2-yl)-2-methylpyrazol-3-yl]methanol SMILES: CN1C(=CC(=N1)C2=CC=CO2)CO

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Specifications

PubChem CID	18525804
CAS	886851-33-8
Molecular Weight (g/mol)	178.191
SMILES	CN1C(=CC(=N1)C2=CC=CO2)CO
Synonym	3-2-furyl-1-methyl-1h-pyrazol-5-yl methanol,5-furan-2-yl-2-methylpyrazol-3-yl methanol,3-2-furyl-1-methylpyrazol-5-yl methan-1-ol,3-furan-2-yl-1-methyl-1h-pyrazol-5-yl methanol
IUPAC Name	[5-(furan-2-yl)-2-methylpyrazol-3-yl]methanol
InChI Key	BYXYWFXMSJTOKB-UHFFFAOYSA-N
Molecular Formula	C9H10N2O2

1-Methyl-1H-pyrazole-4-boronic acid hydrochloride, 95%, Thermo Scientific™

CAS: 1026796-02-0 Molecular Formula: C4H8BClN2O2 Molecular Weight (g/mol): 162.38 MDL Number: MFCD09972098 InChI Key: YFPLZINTZVVVJM-UHFFFAOYSA-N Synonym: 1-methylpyrazole-4-boronic acid, hcl,1-methyl-1h-pyrazol-4-yl boronic acid hydrochloride,1-methyl-1h-pyrazole-4-boronic acid hydrochloride,1-methylpyrazole-4-boronic acid hcl,1-methyl-1h-pyrazol-4-ylboronic acid hydrochloride,1-methylpyrazol-4-ylboronic acid hydrochloride,1-methylpyrazole-4-boronic acid,hcl,1-methyl-1h-pyrazole-4-boronic acid xhcl,1-methylpyrazole-4-boronic acid hydrochloride,1-methyl-1h-pyrazole-4-boronic acid hcl PubChem CID: 45158882 IUPAC Name: (1-methylpyrazol-4-yl)boronic acid;hydrochloride SMILES: Cl.CN1C=C(C=N1)B(O)O

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Specifications

PubChem CID	45158882
CAS	1026796-02-0
Molecular Weight (g/mol)	162.38
MDL Number	MFCD09972098
SMILES	Cl.CN1C=C(C=N1)B(O)O
Synonym	1-methylpyrazole-4-boronic acid, hcl,1-methyl-1h-pyrazol-4-yl boronic acid hydrochloride,1-methyl-1h-pyrazole-4-boronic acid hydrochloride,1-methylpyrazole-4-boronic acid hcl,1-methyl-1h-pyrazol-4-ylboronic acid hydrochloride,1-methylpyrazol-4-ylboronic acid hydrochloride,1-methylpyrazole-4-boronic acid,hcl,1-methyl-1h-pyrazole-4-boronic acid xhcl,1-methylpyrazole-4-boronic acid hydrochloride,1-methyl-1h-pyrazole-4-boronic acid hcl
IUPAC Name	(1-methylpyrazol-4-yl)boronic acid;hydrochloride
InChI Key	YFPLZINTZVVVJM-UHFFFAOYSA-N
Molecular Formula	C4H8BClN2O2

3-Amino-4-iodo-1H-indazole, 95%, Thermo Scientific™

CAS: 599191-73-8 Molecular Formula: C7H6IN3 Molecular Weight (g/mol): 259.05 MDL Number: MFCD03426697 InChI Key: OEQIVIYSUJXCFG-UHFFFAOYSA-N Synonym: 4-iodo-1h-indazol-3-ylamine,3-amino-4-iodo-1h-indazole,1h-indazol-3-amine, 4-iodo,3-amino-4-iodoindazole,4-iodo-1h-indazol-amine,ksc268o0n,4-iodo-1h-indazole-3-amine,4-iodo-1h-indazole-3-ylamine,3-amino-4-iodo-indazole PubChem CID: 4057787 IUPAC Name: 4-iodo-1H-indazol-3-amine SMILES: NC1=NNC2=CC=CC(I)=C12

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Specifications

PubChem CID	4057787
CAS	599191-73-8
Molecular Weight (g/mol)	259.05
MDL Number	MFCD03426697
SMILES	NC1=NNC2=CC=CC(I)=C12
Synonym	4-iodo-1h-indazol-3-ylamine,3-amino-4-iodo-1h-indazole,1h-indazol-3-amine, 4-iodo,3-amino-4-iodoindazole,4-iodo-1h-indazol-amine,ksc268o0n,4-iodo-1h-indazole-3-amine,4-iodo-1h-indazole-3-ylamine,3-amino-4-iodo-indazole
IUPAC Name	4-iodo-1H-indazol-3-amine
InChI Key	OEQIVIYSUJXCFG-UHFFFAOYSA-N
Molecular Formula	C7H6IN3

(1-Methyl-1H-indazol-3-yl)methylamine dihydrochloride, 97%, Thermo Scientific™

CAS: 1093860-45-7 Molecular Formula: C9H13Cl2N3 Molecular Weight (g/mol): 234.124 MDL Number: MFCD11841065 InChI Key: ZHWICCCSNYFLJY-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazol-3-yl methylamine dihydrochloride,1-methylindazol-3-yl methanamine dihydrochloride,1-methyl-1h-indazol-3-yl methanamine dihydrochloride,3-aminomethyl-1-methyl-1h-indazole dihydrochloride,1-methyl-1h-indazol-3-yl methylamine 2hcl,1-methyl-1h-indazol-3-yl methylamine, chloride, chloride,1-1-methylindazol-3-yl methanamine dihydrochloride,1-1-methyl-1h-indazol-3-yl methanamine-hydrogen chloride 1/2 PubChem CID: 43811028 IUPAC Name: (1-methylindazol-3-yl)methanamine;dihydrochloride SMILES: CN1C2=CC=CC=C2C(=N1)CN.Cl.Cl

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Specifications

PubChem CID	43811028
CAS	1093860-45-7
Molecular Weight (g/mol)	234.124
MDL Number	MFCD11841065
SMILES	CN1C2=CC=CC=C2C(=N1)CN.Cl.Cl
Synonym	1-methyl-1h-indazol-3-yl methylamine dihydrochloride,1-methylindazol-3-yl methanamine dihydrochloride,1-methyl-1h-indazol-3-yl methanamine dihydrochloride,3-aminomethyl-1-methyl-1h-indazole dihydrochloride,1-methyl-1h-indazol-3-yl methylamine 2hcl,1-methyl-1h-indazol-3-yl methylamine, chloride, chloride,1-1-methylindazol-3-yl methanamine dihydrochloride,1-1-methyl-1h-indazol-3-yl methanamine-hydrogen chloride 1/2
IUPAC Name	(1-methylindazol-3-yl)methanamine;dihydrochloride
InChI Key	ZHWICCCSNYFLJY-UHFFFAOYSA-N
Molecular Formula	C9H13Cl2N3

1-Methylindazole-6-boronic acid, 97%

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3-Amino-1H-indazole, 97%

CAS: 874-05-5 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.154 MDL Number: MFCD00182045 InChI Key: YDTDKKULPWTHRV-UHFFFAOYSA-N Synonym: 3-amino-1h-indazole,1h-indazol-3-ylamine,3-aminoindazole,3-indazolamine,2h-indazol-3-amine,1h-indazole, 3-amino,aminoindazole,amino-indazole,1h-indazole-3-ylamine,indazole amine PubChem CID: 13399 IUPAC Name: 1H-indazol-3-amine SMILES: C1=CC=C2C(=C1)C(=NN2)N

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Specifications

PubChem CID	13399
CAS	874-05-5
Molecular Weight (g/mol)	133.154
MDL Number	MFCD00182045
SMILES	C1=CC=C2C(=C1)C(=NN2)N
Synonym	3-amino-1h-indazole,1h-indazol-3-ylamine,3-aminoindazole,3-indazolamine,2h-indazol-3-amine,1h-indazole, 3-amino,aminoindazole,amino-indazole,1h-indazole-3-ylamine,indazole amine
IUPAC Name	1H-indazol-3-amine
InChI Key	YDTDKKULPWTHRV-UHFFFAOYSA-N
Molecular Formula	C7H7N3

(1-Methyl-3-thien-2-yl-1H-pyrazol-5-yl)methanol, 97%, Thermo Scientific™

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Pyrazoles

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