1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione

C18H18N2O2 — CID 602962

IUPAC1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione
SMILESCC(C)C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C18H18N2O2/c1-13(2)16-17(21)19(14-9-5-3-6-10-14)20(18(16)22)15-11-7-4-8-12-15/h3-13,16H,1-2H3
InChIKeyYCVWEUCCAOLSFZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.25
Rot. Bonds3

About 1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione

1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione (PubChem CID 602962) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione
PubChem CID602962
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione
SMILESCC(C)C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C18H18N2O2/c1-13(2)16-17(21)19(14-9-5-3-6-10-14)20(18(16)22)15-11-7-4-8-12-15/h3-13,16H,1-2H3
InChIKeyYCVWEUCCAOLSFZ-UHFFFAOYSA-N
XLogP3.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione?
The IUPAC name of 1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione (CID 602962) is 1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione.
What is the SMILES notation for 1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione?
The canonical SMILES for 1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione is CC(C)C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of 1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione?
The InChIKey is YCVWEUCCAOLSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13(2)16-17(21)19(14-9-5-3-6-10-14)20(18(16)22)15-11-7-4-8-12-15/h3-13,16H,1-2H3.
What are the key properties of 1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione?
1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione has a molecular weight of 294.35 g/mol, XLogP of 3.25, 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-propan-2-ylpyrazolidine-3,5-dione is sourced from PubChem (CID 602962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).