5-phenyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one

C15H11N3O2 — CID 4068588

IUPAC5-phenyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one
SMILESO=C1CC(c2ccccc2)=NN1C(=O)c1ccncc1
InChIInChI=1S/C15H11N3O2/c19-14-10-13(11-4-2-1-3-5-11)17-18(14)15(20)12-6-8-16-9-7-12/h1-9H,10H2
InChIKeyNVOKAFBPYHJABF-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.86
Rot. Bonds2

About 5-phenyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one

5-phenyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one (PubChem CID 4068588) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-phenyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-phenyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one
PubChem CID4068588
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name5-phenyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one
SMILESO=C1CC(c2ccccc2)=NN1C(=O)c1ccncc1
InChIInChI=1S/C15H11N3O2/c19-14-10-13(11-4-2-1-3-5-11)17-18(14)15(20)12-6-8-16-9-7-12/h1-9H,10H2
InChIKeyNVOKAFBPYHJABF-UHFFFAOYSA-N
XLogP1.86
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
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1-benzoyl-4-phenyl-3H-1,5-benzodiazepin-2-one
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2-(5-oxo-3-phenyl-4H-pyrazol-1-yl)benzoic acid
CID 3609926
2-(pyridine-4-carbonyl)isoindole-1,3-dione
CID 156600138
[(5R)-5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl]-phenylmethanone
CID 51426988
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110145191
[(5R)-5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
CID 1092676
[5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
CID 3157637
(2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl)-pyridin-4-ylmethanone
CID 24733333
1,3-oxazinan-3-yl(pyridin-4-yl)methanone
CID 110739628

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one?
The IUPAC name of 5-phenyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one (CID 4068588) is 5-phenyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-phenyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one?
The canonical SMILES for 5-phenyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one is O=C1CC(c2ccccc2)=NN1C(=O)c1ccncc1.
What is the InChIKey of 5-phenyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one?
The InChIKey is NVOKAFBPYHJABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-14-10-13(11-4-2-1-3-5-11)17-18(14)15(20)12-6-8-16-9-7-12/h1-9H,10H2.
What are the key properties of 5-phenyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one?
5-phenyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one has a molecular weight of 265.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one is sourced from PubChem (CID 4068588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).