2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-2-phenylpropanenitrile

C24H19N3O2 — CID 134112213

IUPAC2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-2-phenylpropanenitrile
SMILESCC(C#N)(c1ccccc1)C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C24H19N3O2/c1-24(17-25,18-11-5-2-6-12-18)21-22(28)26(19-13-7-3-8-14-19)27(23(21)29)20-15-9-4-10-16-20/h2-16,21H,1H3
InChIKeyOOJVPLYJHMGTHX-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.08
Rot. Bonds4

About 2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-2-phenylpropanenitrile

2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-2-phenylpropanenitrile (PubChem CID 134112213) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-2-phenylpropanenitrile.

Molecular Properties

Compound Name2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-2-phenylpropanenitrile
PubChem CID134112213
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-2-phenylpropanenitrile
SMILESCC(C#N)(c1ccccc1)C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C24H19N3O2/c1-24(17-25,18-11-5-2-6-12-18)21-22(28)26(19-13-7-3-8-14-19)27(23(21)29)20-15-9-4-10-16-20/h2-16,21H,1H3
InChIKeyOOJVPLYJHMGTHX-UHFFFAOYSA-N
XLogP4.08
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-2-phenylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-1-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)cyclohexane-1-carbonitrile
CID 134090546
3-tert-butyl-1-(2-phenylpropan-2-yl)aziridin-2-one
CID 15309419
4-amino-1,2-diphenylpyrazolidine-3,5-dione
CID 162789664
1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione
CID 602962
4-(1-methylsulfanylethyl)-1,2-diphenylpyrazolidine-3,5-dione
CID 21139704
1-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)cyclopentane-1-carbonitrile
CID 134115383
4-methyl-1,2-diphenyldiazinane-3,6-dione
CID 117066425
CID 24844231
CID 24844231
[(1S)-1-cyano-1-phenylethyl] acetate
CID 13433573
CID 171375456
CID 171375456
2-phenylpropan-2-ylbenzene
CID 13065
2-methyl-3-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanenitrile
CID 139377198

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-2-phenylpropanenitrile?
The IUPAC name of 2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-2-phenylpropanenitrile (CID 134112213) is 2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-2-phenylpropanenitrile.
What is the SMILES notation for 2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-2-phenylpropanenitrile?
The canonical SMILES for 2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-2-phenylpropanenitrile is CC(C#N)(c1ccccc1)C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of 2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-2-phenylpropanenitrile?
The InChIKey is OOJVPLYJHMGTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-24(17-25,18-11-5-2-6-12-18)21-22(28)26(19-13-7-3-8-14-19)27(23(21)29)20-15-9-4-10-16-20/h2-16,21H,1H3.
What are the key properties of 2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-2-phenylpropanenitrile?
2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-2-phenylpropanenitrile has a molecular weight of 381.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-2-phenylpropanenitrile is sourced from PubChem (CID 134112213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).