3-Methylpyrazole-5-carboxylic acid

Modify Date: 2025-08-25 11:49:20

3-Methylpyrazole-5-carboxylic acid Structure
3-Methylpyrazole-5-carboxylic acid structure
Common Name 3-Methylpyrazole-5-carboxylic acid
CAS Number 696-22-0 Molecular Weight 126.11300
Density 1.404 g/cm3 Boiling Point 388.8ºC at 760 mmHg
Molecular Formula C5H6N2O2 Melting Point 236-240ºC
MSDS N/A Flash Point 188.9ºC

 Names

Name 5(or 3)-methyl-pyrazole-3(or 5)-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.404 g/cm3
Boiling Point 388.8ºC at 760 mmHg
Melting Point 236-240ºC
Molecular Formula C5H6N2O2
Molecular Weight 126.11300
Flash Point 188.9ºC
Exact Mass 126.04300
PSA 65.98000
LogP 0.41630
InChIKey WSMQKESQZFQMFW-UHFFFAOYSA-N
SMILES CC1=CC(=NN1)C(=O)O
Storage condition 2-8°C

 Synthetic Route

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3-Methylpyrazole-5-carboxylic acid Structure

3-Methylpyrazol...

CAS#:696-22-0

Literature: US4282361 A1, ;

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3-Methylpyrazole-5-carboxylic acid Structure

3-Methylpyrazol...

CAS#:696-22-0

Literature: Tetrahedron Letters, , vol. 43, # 28 p. 5005 - 5008

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3-Methylpyrazole-5-carboxylic acid Structure

3-Methylpyrazol...

CAS#:696-22-0

Literature: Tetrahedron Letters, , vol. 43, # 28 p. 5005 - 5008

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3-Methylpyrazole-5-carboxylic acid Structure

3-Methylpyrazol...

CAS#:696-22-0

Literature: Chinese Chemical Letters, , vol. 23, # 6 p. 669 - 672

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3-Methylpyrazole-5-carboxylic acid Structure

3-Methylpyrazol...

CAS#:696-22-0

Literature: Journal fuer Praktische Chemie (Leipzig), , vol. <2>126, p. 150,165 Chemische Berichte, , vol. 61, p. 2405

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3-Methylpyrazole-5-carboxylic acid Structure

3-Methylpyrazol...

CAS#:696-22-0

Literature: Gazzetta Chimica Italiana, , vol. 75, p. 121,133

 3-Methylpyrazole-5-carboxylic acidBioassay

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Name: Binding affinity to human recombinant DAAO by kinetic study scintillation proximity a...
Source: ChEMBL
Target: D-amino-acid oxidase
External Id: CHEMBL1832108
Name: Binding affinity to human recombinant DAAO by isothermal titration calorimeter analys...
Source: ChEMBL
Target: D-amino-acid oxidase
External Id: CHEMBL1832107
Name: Inhibition of bovine recombinant DASPO expressed in Escherichia coli preincubated for...
Source: ChEMBL
Target: D-aspartate oxidase
External Id: CHEMBL1832110
Name: Binding affinity to human recombinant DAAO by steady state study scintillation proxim...
Source: ChEMBL
Target: D-amino-acid oxidase
External Id: CHEMBL1832109
Name: Binding affinity to human recombinant DAAO assessed as drug-enzyme complex half life
Source: ChEMBL
Target: D-amino-acid oxidase
External Id: CHEMBL1832112
Name: Inhibition of human ERG expressed in HEK293 cells by whole cell voltage patch clamp t...
Source: ChEMBL
Target: Potassium voltage-gated channel subfamily H member 2
External Id: CHEMBL1832111
Name: Octanol-water partition coefficient, log P of the neutral compound by pH-metric metho...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1832114
Name: Dissociation constant, pKa of the compound by dip probe absorption spectroscopy techn...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1832113
Name: Inhibition of human recombinant DAAO expressed in Escherichia coli assessed as H2O2 p...
Source: ChEMBL
Target: D-amino-acid oxidase
External Id: CHEMBL1832105
Name: Reduction of free fatty acid level in po dosed Sprague-Dawley rat plasma
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL921662
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 Synonyms

3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
3-methylpyrazole-5-carboxylic acid
3-methyl-5-pyrazolecarboxylic acid
5-methyl-2H-pyrazole-3-carboxylic acid
3-methylpyrazolo-5-carboxylic acid
1H-Pyrazole-3-carboxylic acid,5-Methyl
3-methyl-5-carboxy-1H-pyrazole
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