4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one

C17H15ClN2O — CID 155679054

IUPAC4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)C1Cc1ccccc1Cl
InChIInChI=1S/C17H15ClN2O/c1-12-15(11-13-7-5-6-10-16(13)18)17(21)20(19-12)14-8-3-2-4-9-14/h2-10,15H,11H2,1H3
InChIKeyXOABSXKQEBXFFF-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.92
Rot. Bonds3

About 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one

4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one (PubChem CID 155679054) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
PubChem CID155679054
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)C1Cc1ccccc1Cl
InChIInChI=1S/C17H15ClN2O/c1-12-15(11-13-7-5-6-10-16(13)18)17(21)20(19-12)14-8-3-2-4-9-14/h2-10,15H,11H2,1H3
InChIKeyXOABSXKQEBXFFF-UHFFFAOYSA-N
XLogP3.92
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3H-Pyrazol-3-one, 2,4-dihydro-2,5-diphenyl-
CID 78559
3-Methyl-1,4-diphenyl-1H-pyrazole-5(4H)-one
CID 11414033
2-(4-chlorophenyl)-3aH-pyrazolo[4,3-c]quinolin-3-one
CID 44273000
4-[(1E)-2-(2-chlorophenyl)-1-azavinyl]-2,3-dimethyl-1-phenyl-2-pyrazolin-5-one
CID 3730021
4-(4-chlorobenzoyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 11836343
5-benzyl-2-phenyl-4H-pyrazol-3-one
CID 10514826
4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5285589
2-Phenyl-6-(4-propan-2-ylphenyl)-4,5-dihydropyridazin-3-one
CID 2953145
2-([1,1'-Biphenyl]-4-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 127042668
2,6-diphenyl-4,5-dihydropyridazin-3(2H)-one
CID 246943
(3E)-4-[2-(4-chlorophenyl)acetylamino]-N-(2-fluorophenyl)-3-methyl-4-azabut-3-enamide
CID 9594051
4-{[1-(2,6-Dichloro-phenyl)-meth-(E)-ylidene]-amino}-1,5-dimethyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 3738549

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one (CID 155679054) is 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one is CC1=NN(c2ccccc2)C(=O)C1Cc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one?
The InChIKey is XOABSXKQEBXFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-12-15(11-13-7-5-6-10-16(13)18)17(21)20(19-12)14-8-3-2-4-9-14/h2-10,15H,11H2,1H3.
What are the key properties of 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one?
4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one has a molecular weight of 298.77 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 155679054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).