5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one

C17H17N3O — CID 51036475

IUPAC5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCCCc1c(-c2ccccc2)[nH]n(-c2ccccn2)c1=O
InChIInChI=1S/C17H17N3O/c1-2-8-14-16(13-9-4-3-5-10-13)19-20(17(14)21)15-11-6-7-12-18-15/h3-7,9-12,19H,2,8H2,1H3
InChIKeyGIWZEELPLKPYBA-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.18
Rot. Bonds4

About 5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one

5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one (PubChem CID 51036475) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one
PubChem CID51036475
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCCCc1c(-c2ccccc2)[nH]n(-c2ccccn2)c1=O
InChIInChI=1S/C17H17N3O/c1-2-8-14-16(13-9-4-3-5-10-13)19-20(17(14)21)15-11-6-7-12-18-15/h3-7,9-12,19H,2,8H2,1H3
InChIKeyGIWZEELPLKPYBA-UHFFFAOYSA-N
XLogP3.18
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(pyridin-2-yl)benzamide
CID 219990
3-Phenyl-1-(pyridin-2-yl)-4,5-dihydro-1h-pyrazol-5-one
CID 14050877
N-(3-Methyl-2-pyridinyl)benzamide
CID 90211
Nevirapin 2,4-Disubstituted deriv. 12a
CID 464562
3-Methyl-4-phenyl-1-(pyridin-2-yl)-1h-pyrazol-5-ol
CID 13590499
4-phenyl-N-(2-pyridinyl)butanamide
CID 836507
N-(5-methylpyridin-2-yl)-4-phenylbutanamide
CID 838086
N-benzyl-2,2-dimethyl-N-(pyridin-2-yl)propanamide
CID 1122454
2-phenyl-N-(2-pyridinyl)butanamide
CID 2852795
(3E)-3-{2-[(3-methylphenyl)carbonyl]hydrazinylidene}-N-(pyridin-2-yl)butanamide
CID 9594651
2,2-diphenyl-N'-pyridin-2-ylacetohydrazide
CID 803777
DMT1 blocker 2
CID 25016113

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one?
The IUPAC name of 5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one (CID 51036475) is 5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one is CCCc1c(-c2ccccc2)[nH]n(-c2ccccn2)c1=O.
What is the InChIKey of 5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one?
The InChIKey is GIWZEELPLKPYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-8-14-16(13-9-4-3-5-10-13)19-20(17(14)21)15-11-6-7-12-18-15/h3-7,9-12,19H,2,8H2,1H3.
What are the key properties of 5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one?
5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one has a molecular weight of 279.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 51036475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).