Details of the Drug

General Information of Drug (ID: DMJVGUZ)

• Drug Name: 5-Benzyl-1H-pyrazole-3-carboxylic acid
• Synonyms: 5-benzyl-1H-pyrazole-3-carboxylic Acid; 1H-Pyrazole-3-carboxylic acid, 5-(phenylmethyl)-; CHEMBL247317; 595610-51-8; 3-benzyl-1H-pyrazole-5-carboxylic acid; SCHEMBL12703568; MolPort-035-831-532; MolPort-022-664-582; ZINC13526594; BDBM50216537; AKOS026575568

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 202.21
  Logarithm of the Partition Coefficient (xlogp); 2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C11H10N2O2
  IUPAC Name: 5-benzyl-1H-pyrazole-3-carboxylic acid
  Canonical SMILES: C1=CC=C(C=C1)CC2=CC(=NN2)C(=O)O
  InChI: InChI=1S/C11H10N2O2/c14-11(15)10-7-9(12-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13)(H,14,15)
  InChIKey: YYEOXPLPYNYVRY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11041813
  TTD ID: D00TPG

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]

References

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