5-methyl-2-(4-phenylphenyl)-4H-pyrazol-3-one

C16H14N2O — CID 127042668

IUPAC5-methyl-2-(4-phenylphenyl)-4H-pyrazol-3-one
SMILESCC1=NN(c2ccc(-c3ccccc3)cc2)C(=O)C1
InChIInChI=1S/C16H14N2O/c1-12-11-16(19)18(17-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyZPQSYRQQCSMFMR-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.47
Rot. Bonds2

About 5-methyl-2-(4-phenylphenyl)-4H-pyrazol-3-one

5-methyl-2-(4-phenylphenyl)-4H-pyrazol-3-one (PubChem CID 127042668) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-methyl-2-(4-phenylphenyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-(4-phenylphenyl)-4H-pyrazol-3-one
PubChem CID127042668
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name5-methyl-2-(4-phenylphenyl)-4H-pyrazol-3-one
SMILESCC1=NN(c2ccc(-c3ccccc3)cc2)C(=O)C1
InChIInChI=1S/C16H14N2O/c1-12-11-16(19)18(17-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyZPQSYRQQCSMFMR-UHFFFAOYSA-N
XLogP3.47
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-phenylphenyl)-4H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-(4-phenylphenyl)-4H-pyrazol-3-one (CID 127042668) is 5-methyl-2-(4-phenylphenyl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-(4-phenylphenyl)-4H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-(4-phenylphenyl)-4H-pyrazol-3-one is CC1=NN(c2ccc(-c3ccccc3)cc2)C(=O)C1.
What is the InChIKey of 5-methyl-2-(4-phenylphenyl)-4H-pyrazol-3-one?
The InChIKey is ZPQSYRQQCSMFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-12-11-16(19)18(17-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 5-methyl-2-(4-phenylphenyl)-4H-pyrazol-3-one?
5-methyl-2-(4-phenylphenyl)-4H-pyrazol-3-one has a molecular weight of 250.30 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-phenylphenyl)-4H-pyrazol-3-one is sourced from PubChem (CID 127042668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).