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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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1

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

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

1H-Indazole-4-carboxaldehyde, 97%

CAS: 669050-70-8 Molecular Formula: C8H6N2O Molecular Weight (g/mol): 146.15 MDL Number: MFCD06738279 InChI Key: FPJXNCKSPFGQGC-UHFFFAOYSA-N Synonym: 4-formylindazole,1h-indazole-4-carboxaldehyde,4-formyl-1h-indazole,1h-indazol-4-carboxaldehyde,pubchem22512,acmc-209nwx,1h-indazole-4-carboxaldehyde 9ci PubChem CID: 45083569 IUPAC Name: 1H-indazole-4-carbaldehyde SMILES: C1=CC(=C2C=NNC2=C1)C=O

PubChem CID 45083569
CAS 669050-70-8
Molecular Weight (g/mol) 146.15
MDL Number MFCD06738279
SMILES C1=CC(=C2C=NNC2=C1)C=O
Synonym 4-formylindazole,1h-indazole-4-carboxaldehyde,4-formyl-1h-indazole,1h-indazol-4-carboxaldehyde,pubchem22512,acmc-209nwx,1h-indazole-4-carboxaldehyde 9ci
IUPAC Name 1H-indazole-4-carbaldehyde
InChI Key FPJXNCKSPFGQGC-UHFFFAOYSA-N
Molecular Formula C8H6N2O
4

5-Iodo-1H-indazole, 95%

CAS: 55919-82-9 Molecular Formula: C7H5IN2 Molecular Weight (g/mol): 244.03 MDL Number: MFCD07781642 InChI Key: CGCHCLICSHIAAM-UHFFFAOYSA-N Synonym: 5-iodoindazole,1h-indazole, 5-iodo,5-iodo 1h indazole,5-iodanyl-1h-indazole,5-iodio-1h-indazole,pubchem20575,d07ovy,indazole, 5-iodo,5-iodo-1h-indazole PubChem CID: 21894739 IUPAC Name: 5-iodo-1H-indazole SMILES: C1=CC2=C(C=C1I)C=NN2

PubChem CID 21894739
CAS 55919-82-9
Molecular Weight (g/mol) 244.03
MDL Number MFCD07781642
SMILES C1=CC2=C(C=C1I)C=NN2
Synonym 5-iodoindazole,1h-indazole, 5-iodo,5-iodo 1h indazole,5-iodanyl-1h-indazole,5-iodio-1h-indazole,pubchem20575,d07ovy,indazole, 5-iodo,5-iodo-1h-indazole
IUPAC Name 5-iodo-1H-indazole
InChI Key CGCHCLICSHIAAM-UHFFFAOYSA-N
Molecular Formula C7H5IN2
5

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

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
6

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

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
7

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

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
8

3-Amino-5-iodo-1H-indazole, 95%, Thermo Scientific™

CAS: 88805-76-9 Molecular Formula: C7H6IN3 Molecular Weight (g/mol): 259.05 MDL Number: MFCD09261138 InChI Key: GBUVSJWTWOWRSL-UHFFFAOYSA-N Synonym: 3-amino-5-iodo-1h-indazole,1h-indazol-3-amine,5-iodo,1h-indazol-3-amine, 5-iodo,3-amino-5-iodoindazole,acmc-20f1u4,5-iodo-1h-indazole-3-ylamine PubChem CID: 20135868 IUPAC Name: 5-iodo-1H-indazol-3-amine SMILES: NC1=NNC2=CC=C(I)C=C12

PubChem CID 20135868
CAS 88805-76-9
Molecular Weight (g/mol) 259.05
MDL Number MFCD09261138
SMILES NC1=NNC2=CC=C(I)C=C12
Synonym 3-amino-5-iodo-1h-indazole,1h-indazol-3-amine,5-iodo,1h-indazol-3-amine, 5-iodo,3-amino-5-iodoindazole,acmc-20f1u4,5-iodo-1h-indazole-3-ylamine
IUPAC Name 5-iodo-1H-indazol-3-amine
InChI Key GBUVSJWTWOWRSL-UHFFFAOYSA-N
Molecular Formula C7H6IN3
9

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

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
10

1H-Indazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 677306-38-6 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD03840644 InChI Key: KGKZHHIUOZGUNP-UHFFFAOYSA-N Synonym: indazole-4-carboxylic acid,1h-indazole-4-carboxylicacid,4-indazolecarboxylic acid,4-carboxy-1h-indazole,2h-indazole-4-carboxylic acid,pubchem19651,acmc-1b3os,ksc352q1d,1h-indazole-4-carboxylic acid,4-1h indazole carboxylic acid PubChem CID: 21982323 IUPAC Name: 1H-indazole-4-carboxylic acid SMILES: C1=CC(=C2C=NNC2=C1)C(=O)O

PubChem CID 21982323
CAS 677306-38-6
Molecular Weight (g/mol) 162.15
MDL Number MFCD03840644
SMILES C1=CC(=C2C=NNC2=C1)C(=O)O
Synonym indazole-4-carboxylic acid,1h-indazole-4-carboxylicacid,4-indazolecarboxylic acid,4-carboxy-1h-indazole,2h-indazole-4-carboxylic acid,pubchem19651,acmc-1b3os,ksc352q1d,1h-indazole-4-carboxylic acid,4-1h indazole carboxylic acid
IUPAC Name 1H-indazole-4-carboxylic acid
InChI Key KGKZHHIUOZGUNP-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
11

1-Methyl-1H-indazole-4-carboxaldehyde, 95%

CAS: 1053655-56-3 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.18 MDL Number: MFCD10699167 InChI Key: SONWSIAHVBTXPB-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazole-4-carbaldehyde,1-methyl-1h-indazole-4-carboxaldehyde,4-formyl-1-methyl-1h-indazole,1-methyl-4-indazolecarboxaldehyde PubChem CID: 37818471 IUPAC Name: 1-methylindazole-4-carbaldehyde SMILES: CN1C2=CC=CC(=C2C=N1)C=O

PubChem CID 37818471
CAS 1053655-56-3
Molecular Weight (g/mol) 160.18
MDL Number MFCD10699167
SMILES CN1C2=CC=CC(=C2C=N1)C=O
Synonym 1-methyl-1h-indazole-4-carbaldehyde,1-methyl-1h-indazole-4-carboxaldehyde,4-formyl-1-methyl-1h-indazole,1-methyl-4-indazolecarboxaldehyde
IUPAC Name 1-methylindazole-4-carbaldehyde
InChI Key SONWSIAHVBTXPB-UHFFFAOYSA-N
Molecular Formula C9H8N2O
15

6-Iodo-1H-indazole, 97%, Thermo Scientific™

CAS: 261953-36-0 Molecular Formula: C7H5IN2 Molecular Weight (g/mol): 244.03 MDL Number: MFCD04114695 InChI Key: RSGAXJZKQDNFEP-UHFFFAOYSA-N Synonym: 6-iodoindazole,1h-indazole, 6-iodo,6-iodo 1h indazole,6-iodo-indazole,pubchem18081,indazole, 6-iodo PubChem CID: 12991241 IUPAC Name: 6-iodo-1H-indazole SMILES: C1=CC2=C(C=C1I)NN=C2

PubChem CID 12991241
CAS 261953-36-0
Molecular Weight (g/mol) 244.03
MDL Number MFCD04114695
SMILES C1=CC2=C(C=C1I)NN=C2
Synonym 6-iodoindazole,1h-indazole, 6-iodo,6-iodo 1h indazole,6-iodo-indazole,pubchem18081,indazole, 6-iodo
IUPAC Name 6-iodo-1H-indazole
InChI Key RSGAXJZKQDNFEP-UHFFFAOYSA-N
Molecular Formula C7H5IN2