4-(2,2-diphenylacetyl)-5-methyl-2-phenyl-4H-pyrazol-3-one

C24H20N2O2 — CID 86205937

IUPAC4-(2,2-diphenylacetyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)C1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20N2O2/c1-17-21(24(28)26(25-17)20-15-9-4-10-16-20)23(27)22(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21-22H,1H3
InChIKeyZIHKHGQDOIYXKA-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.43
Rot. Bonds5

About 4-(2,2-diphenylacetyl)-5-methyl-2-phenyl-4H-pyrazol-3-one

4-(2,2-diphenylacetyl)-5-methyl-2-phenyl-4H-pyrazol-3-one (PubChem CID 86205937) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-(2,2-diphenylacetyl)-5-methyl-2-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-(2,2-diphenylacetyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
PubChem CID86205937
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name4-(2,2-diphenylacetyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)C1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20N2O2/c1-17-21(24(28)26(25-17)20-15-9-4-10-16-20)23(27)22(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21-22H,1H3
InChIKeyZIHKHGQDOIYXKA-UHFFFAOYSA-N
XLogP4.43
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diphenylacetyl)-5-methyl-2-phenyl-4H-pyrazol-3-one?
The IUPAC name of 4-(2,2-diphenylacetyl)-5-methyl-2-phenyl-4H-pyrazol-3-one (CID 86205937) is 4-(2,2-diphenylacetyl)-5-methyl-2-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 4-(2,2-diphenylacetyl)-5-methyl-2-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 4-(2,2-diphenylacetyl)-5-methyl-2-phenyl-4H-pyrazol-3-one is CC1=NN(c2ccccc2)C(=O)C1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(2,2-diphenylacetyl)-5-methyl-2-phenyl-4H-pyrazol-3-one?
The InChIKey is ZIHKHGQDOIYXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-17-21(24(28)26(25-17)20-15-9-4-10-16-20)23(27)22(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21-22H,1H3.
What are the key properties of 4-(2,2-diphenylacetyl)-5-methyl-2-phenyl-4H-pyrazol-3-one?
4-(2,2-diphenylacetyl)-5-methyl-2-phenyl-4H-pyrazol-3-one has a molecular weight of 368.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diphenylacetyl)-5-methyl-2-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 86205937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).