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
CAS Number: 76424-47-0
TTD ID: D0U6SQ

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)

MIA Detail

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.