5-benzyl-2-phenyl-4H-pyrazol-3-one

C16H14N2O — CID 10514826

IUPAC5-benzyl-2-phenyl-4H-pyrazol-3-one
SMILESO=C1CC(Cc2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C16H14N2O/c19-16-12-14(11-13-7-3-1-4-8-13)17-18(16)15-9-5-2-6-10-15/h1-10H,11-12H2
InChIKeyYAKFVICLDYQJRX-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.02
Rot. Bonds3

About 5-benzyl-2-phenyl-4H-pyrazol-3-one

5-benzyl-2-phenyl-4H-pyrazol-3-one (PubChem CID 10514826) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-benzyl-2-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-benzyl-2-phenyl-4H-pyrazol-3-one
PubChem CID10514826
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name5-benzyl-2-phenyl-4H-pyrazol-3-one
SMILESO=C1CC(Cc2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C16H14N2O/c19-16-12-14(11-13-7-3-1-4-8-13)17-18(16)15-9-5-2-6-10-15/h1-10H,11-12H2
InChIKeyYAKFVICLDYQJRX-UHFFFAOYSA-N
XLogP3.02
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Mci-186
CID 4021
3H-Pyrazol-3-one, 2,4-dihydro-2,5-diphenyl-
CID 78559
2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one
CID 66591
1-Phenyl-3-methyl-4-benzoyl-5-pyrazolone
CID 97690
4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone)
CID 95807
3-Methyl-1,4-diphenyl-1H-pyrazole-5(4H)-one
CID 11414033
4,5-dihydro-6-methyl-2-phenylpyridazin-3(2H)-one
CID 78330
3,4-Dimethyl-1-phenyl-1H-pyrazol-5(4H)-one
CID 86633
(4E)-5,5'-Dimethyl-2,2'-diphenyl-4,4'-bipyrazole-3,3'(2H,2'H)-dione
CID 2825117
2-phenyl-3aH-pyrazolo[4,3-c]quinolin-3-one
CID 44273038
4-Methyl-2-phenyl-2H-phthalazin-1-one
CID 245552
4-(4-Dimethylamino-benzylidene)-2-(3-fluoro-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one
CID 5284927

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-phenyl-4H-pyrazol-3-one?
The IUPAC name of 5-benzyl-2-phenyl-4H-pyrazol-3-one (CID 10514826) is 5-benzyl-2-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-benzyl-2-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 5-benzyl-2-phenyl-4H-pyrazol-3-one is O=C1CC(Cc2ccccc2)=NN1c1ccccc1.
What is the InChIKey of 5-benzyl-2-phenyl-4H-pyrazol-3-one?
The InChIKey is YAKFVICLDYQJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16-12-14(11-13-7-3-1-4-8-13)17-18(16)15-9-5-2-6-10-15/h1-10H,11-12H2.
What are the key properties of 5-benzyl-2-phenyl-4H-pyrazol-3-one?
5-benzyl-2-phenyl-4H-pyrazol-3-one has a molecular weight of 250.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 10514826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).