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

C17H16N2O — CID 164626818

IUPAC4-benzyl-2-methyl-5-phenyl-4H-pyrazol-3-one
SMILESCN1N=C(c2ccccc2)C(Cc2ccccc2)C1=O
InChIInChI=1S/C17H16N2O/c1-19-17(20)15(12-13-8-4-2-5-9-13)16(18-19)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKeyNFBVIFRULDLDDW-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.72
Rot. Bonds3

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

4-benzyl-2-methyl-5-phenyl-4H-pyrazol-3-one (PubChem CID 164626818) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-benzyl-2-methyl-5-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-benzyl-2-methyl-5-phenyl-4H-pyrazol-3-one
PubChem CID164626818
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-benzyl-2-methyl-5-phenyl-4H-pyrazol-3-one
SMILESCN1N=C(c2ccccc2)C(Cc2ccccc2)C1=O
InChIInChI=1S/C17H16N2O/c1-19-17(20)15(12-13-8-4-2-5-9-13)16(18-19)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKeyNFBVIFRULDLDDW-UHFFFAOYSA-N
XLogP2.72
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-2-methyl-5-phenyl-4H-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

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methyl-5-phenyl-4H-pyrazol-3-one?
The IUPAC name of 4-benzyl-2-methyl-5-phenyl-4H-pyrazol-3-one (CID 164626818) is 4-benzyl-2-methyl-5-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 4-benzyl-2-methyl-5-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 4-benzyl-2-methyl-5-phenyl-4H-pyrazol-3-one is CN1N=C(c2ccccc2)C(Cc2ccccc2)C1=O.
What is the InChIKey of 4-benzyl-2-methyl-5-phenyl-4H-pyrazol-3-one?
The InChIKey is NFBVIFRULDLDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-19-17(20)15(12-13-8-4-2-5-9-13)16(18-19)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3.
What are the key properties of 4-benzyl-2-methyl-5-phenyl-4H-pyrazol-3-one?
4-benzyl-2-methyl-5-phenyl-4H-pyrazol-3-one has a molecular weight of 264.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methyl-5-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 164626818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).