5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enoyl]-1H-pyrazol-3-one

C19H16N2O2 — CID 14452664

IUPAC5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enoyl]-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1C(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H16N2O2/c1-14-18(17(22)13-12-15-8-4-2-5-9-15)19(23)21(20-14)16-10-6-3-7-11-16/h2-13,20H,1H3/b13-12+
InChIKeyJKWJQCCQYSQMAG-OUKQBFOZSA-N
MW304.35 g/mol
LogP3.37
Rot. Bonds4

About 5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enoyl]-1H-pyrazol-3-one

5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enoyl]-1H-pyrazol-3-one (PubChem CID 14452664) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enoyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enoyl]-1H-pyrazol-3-one
PubChem CID14452664
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enoyl]-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1C(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H16N2O2/c1-14-18(17(22)13-12-15-8-4-2-5-9-15)19(23)21(20-14)16-10-6-3-7-11-16/h2-13,20H,1H3/b13-12+
InChIKeyJKWJQCCQYSQMAG-OUKQBFOZSA-N
XLogP3.37
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enoyl]-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enoyl]-1H-pyrazol-3-one (CID 14452664) is 5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enoyl]-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enoyl]-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enoyl]-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)/C=C/c1ccccc1.
What is the InChIKey of 5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enoyl]-1H-pyrazol-3-one?
The InChIKey is JKWJQCCQYSQMAG-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-14-18(17(22)13-12-15-8-4-2-5-9-15)19(23)21(20-14)16-10-6-3-7-11-16/h2-13,20H,1H3/b13-12+.
What are the key properties of 5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enoyl]-1H-pyrazol-3-one?
5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enoyl]-1H-pyrazol-3-one has a molecular weight of 304.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enoyl]-1H-pyrazol-3-one is sourced from PubChem (CID 14452664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).