4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidine-3,5-dione

C24H20N2O3 — CID 3036224

IUPAC4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidine-3,5-dione
SMILESO=C(CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C24H20N2O3/c27-22(18-10-4-1-5-11-18)17-16-21-23(28)25(19-12-6-2-7-13-19)26(24(21)29)20-14-8-3-9-15-20/h1-15,21H,16-17H2
InChIKeyPETSKIJKVDPIFF-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.26
Rot. Bonds6

About 4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidine-3,5-dione

4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidine-3,5-dione (PubChem CID 3036224) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidine-3,5-dione
PubChem CID3036224
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidine-3,5-dione
SMILESO=C(CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C24H20N2O3/c27-22(18-10-4-1-5-11-18)17-16-21-23(28)25(19-12-6-2-7-13-19)26(24(21)29)20-14-8-3-9-15-20/h1-15,21H,16-17H2
InChIKeyPETSKIJKVDPIFF-UHFFFAOYSA-N
XLogP4.26
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.26
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidine-3,5-dione?
The IUPAC name of 4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidine-3,5-dione (CID 3036224) is 4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidine-3,5-dione.
What is the SMILES notation for 4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidine-3,5-dione?
The canonical SMILES for 4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidine-3,5-dione is O=C(CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1.
What is the InChIKey of 4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidine-3,5-dione?
The InChIKey is PETSKIJKVDPIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c27-22(18-10-4-1-5-11-18)17-16-21-23(28)25(19-12-6-2-7-13-19)26(24(21)29)20-14-8-3-9-15-20/h1-15,21H,16-17H2.
What are the key properties of 4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidine-3,5-dione?
4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidine-3,5-dione has a molecular weight of 384.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidine-3,5-dione is sourced from PubChem (CID 3036224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).