1,2-diphenyl-4-(1-phenylethylidene)pyrazolidine-3,5-dione

C23H18N2O2 — CID 14227350

IUPAC1,2-diphenyl-4-(1-phenylethylidene)pyrazolidine-3,5-dione
SMILESCC(=C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C23H18N2O2/c1-17(18-11-5-2-6-12-18)21-22(26)24(19-13-7-3-8-14-19)25(23(21)27)20-15-9-4-10-16-20/h2-16H,1H3
InChIKeyZKUTZHVBCXRVGT-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.46
Rot. Bonds3

About 1,2-diphenyl-4-(1-phenylethylidene)pyrazolidine-3,5-dione

1,2-diphenyl-4-(1-phenylethylidene)pyrazolidine-3,5-dione (PubChem CID 14227350) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1,2-diphenyl-4-(1-phenylethylidene)pyrazolidine-3,5-dione.

Molecular Properties

Compound Name1,2-diphenyl-4-(1-phenylethylidene)pyrazolidine-3,5-dione
PubChem CID14227350
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name1,2-diphenyl-4-(1-phenylethylidene)pyrazolidine-3,5-dione
SMILESCC(=C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C23H18N2O2/c1-17(18-11-5-2-6-12-18)21-22(26)24(19-13-7-3-8-14-19)25(23(21)27)20-15-9-4-10-16-20/h2-16H,1H3
InChIKeyZKUTZHVBCXRVGT-UHFFFAOYSA-N
XLogP4.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_D(46)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 1,2-diphenyl-4-(1-phenylethylidene)pyrazolidine-3,5-dione 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 1,2-diphenyl-4-(1-phenylethylidene)pyrazolidine-3,5-dione?
The IUPAC name of 1,2-diphenyl-4-(1-phenylethylidene)pyrazolidine-3,5-dione (CID 14227350) is 1,2-diphenyl-4-(1-phenylethylidene)pyrazolidine-3,5-dione.
What is the SMILES notation for 1,2-diphenyl-4-(1-phenylethylidene)pyrazolidine-3,5-dione?
The canonical SMILES for 1,2-diphenyl-4-(1-phenylethylidene)pyrazolidine-3,5-dione is CC(=C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1.
What is the InChIKey of 1,2-diphenyl-4-(1-phenylethylidene)pyrazolidine-3,5-dione?
The InChIKey is ZKUTZHVBCXRVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-17(18-11-5-2-6-12-18)21-22(26)24(19-13-7-3-8-14-19)25(23(21)27)20-15-9-4-10-16-20/h2-16H,1H3.
What are the key properties of 1,2-diphenyl-4-(1-phenylethylidene)pyrazolidine-3,5-dione?
1,2-diphenyl-4-(1-phenylethylidene)pyrazolidine-3,5-dione has a molecular weight of 354.41 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-4-(1-phenylethylidene)pyrazolidine-3,5-dione is sourced from PubChem (CID 14227350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).