Details of the Drug

General Information of Drug (ID: DM4V6JE)

Drug Name
1H-Pyrazole-3-carboxylic acid
Synonyms
1H-Pyrazole-3-carboxylic acid; 1621-91-6; Pyrazole-3-carboxylic acid; 1H-Pyrazole-5-carboxylic acid; 2H-PYRAZOLE-3-CARBOXYLIC ACID; 5-Pyrazolecarboxylic acid; 3-Pyrazolecarboxylic acid; 797027-83-9; 3-carboxy-1h-pyrazole; Pyrazolic acid; CHEMBL128679; KOPFEFZSAMLEHK-UHFFFAOYSA-N; pyrazolecarboxylic; 3-Carboxypyrazole; 2H-PYRAZOLE-3-CARBOXYLICACID; zlchem 656; pyrazolecarboxylic acid; pyrazole-5-carboxylic; PubChem12935; AC1Q5UBI; AC1LCCJ7; 3-pyrazole carboxylic acid; pyrazole 3-carboxylic acid; ACMC-209z0p; Pyrazole-5-carboxylic a
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 112.09
Logarithm of the Partition Coefficient (xlogp) 0.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C4H4N2O2
IUPAC Name
1H-pyrazole-5-carboxylic acid
Canonical SMILES
C1=C(NN=C1)C(=O)O
InChI
InChI=1S/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8)
InChIKey
KOPFEFZSAMLEHK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
574310
ChEBI ID
CHEMBL128679
CAS Number
1621-91-6
TTD ID
D0M7DC
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Nicotinic acid receptor (HCAR2) TTWNV8U HCAR2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Pyrazole derivatives as partial agonists for the nicotinic acid receptor. J Med Chem. 2003 Aug 28;46(18):3945-51.