Details of the Drug

General Information of Drug (ID: DME6BX5)

• Drug Name: 5-Isopropyl-1H-pyrazole-3-carboxylic acid
• Synonyms: 5-isopropyl-1H-pyrazole-3-carboxylic acid; 92933-47-6; 5-Isopropyl-2H-pyrazole-3-carboxylic acid; 3-isopropyl-1H-pyrazole-5-carboxylic acid; 5-ISOPROPYLPYRAZOLE-3-CARBOXYLIC ACID; 3-(propan-2-yl)-1H-pyrazole-5-carboxylic acid; CHEMBL238002; CHWXKAHFWLSLOQ-UHFFFAOYSA-N; 1H-Pyrazole-3-carboxylic acid, 5-(1-methylethyl)-; 890590-91-7; 5-isopropyl-1H-pyrazol-3-carboxylic acid; 5-(propan-2-yl)-1H-pyrazole-3-carboxylic acid; 3-(methylethyl)pyrazole-5-carboxylic acid; PubChem22754; BAS 15375081; ACMC-20cbo3; AC1Q5UGZ; AC1Q1OGL

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); 154.17
  Logarithm of the Partition Coefficient (xlogp); 1.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C7H10N2O2
  IUPAC Name: 5-propan-2-yl-1H-pyrazole-3-carboxylic acid
  Canonical SMILES: CC(C)C1=CC(=NN1)C(=O)O
  InChI: InChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
  InChIKey: CHWXKAHFWLSLOQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 776421
  TTD ID: D0IC7C

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.