Details of the Drug

General Information of Drug (ID: DMSPVXM)

Drug Name
5-Propyl-1H-pyrazole-3-carboxylic acid
Synonyms
3-propyl-1H-pyrazole-5-carboxylic acid; 76424-47-0; 5-Propyl-1H-pyrazole-3-carboxylic acid; 5-Propyl-2H-pyrazole-3-carboxylic acid; CHEMBL237788; 3-n-propyl-1H-pyrazole-5-carboxylic acid; AC1LDWNQ; BAS 01543590; SCHEMBL1092; AC1Q2V2W; Oprea1_206890; ZINC39600; CTK6D4610; KS-00003OFY; CTK2H6772; DTXSID20350296; MolPort-001-965-385; QYPSYPPSHXDFLV-UHFFFAOYSA-N; MolPort-000-929-573; HMS1697E16; 3-propylpyrazole-5-carboxylic acid; BDBM50220850; BBL031087; STL244838; KM1764; 9410AE; AKOS000136076; AKOS000646963; MS-2036; MCULE-2411097064
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) 154.17
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C7H10N2O2
IUPAC Name
5-propyl-1H-pyrazole-3-carboxylic acid
Canonical SMILES
CCCC1=CC(=NN1)C(=O)O
InChI
InChI=1S/C7H10N2O2/c1-2-3-5-4-6(7(10)11)9-8-5/h4H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKey
QYPSYPPSHXDFLV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
676464
ChEBI ID
CHEMBL237788
CAS Number
76424-47-0
TTD ID
D0U6SQ
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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.