1,2-diphenylpyrazolidine-3,5-dione

C15H12N2O2 — CID 17561

IUPAC1,2-diphenylpyrazolidine-3,5-dione
SMILESO=C1CC(=O)N(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C15H12N2O2/c18-14-11-15(19)17(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyXDPKQGKEOCYMQC-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.37
Rot. Bonds2

About 1,2-diphenylpyrazolidine-3,5-dione

1,2-diphenylpyrazolidine-3,5-dione (PubChem CID 17561) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1,2-diphenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name1,2-diphenylpyrazolidine-3,5-dione
PubChem CID17561
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name1,2-diphenylpyrazolidine-3,5-dione
SMILESO=C1CC(=O)N(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C15H12N2O2/c18-14-11-15(19)17(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyXDPKQGKEOCYMQC-UHFFFAOYSA-N
XLogP2.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.37
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-diphenylpyrazolidine-3,5-dione?
The IUPAC name of 1,2-diphenylpyrazolidine-3,5-dione (CID 17561) is 1,2-diphenylpyrazolidine-3,5-dione.
What is the SMILES notation for 1,2-diphenylpyrazolidine-3,5-dione?
The canonical SMILES for 1,2-diphenylpyrazolidine-3,5-dione is O=C1CC(=O)N(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 1,2-diphenylpyrazolidine-3,5-dione?
The InChIKey is XDPKQGKEOCYMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-14-11-15(19)17(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10H,11H2.
What are the key properties of 1,2-diphenylpyrazolidine-3,5-dione?
1,2-diphenylpyrazolidine-3,5-dione has a molecular weight of 252.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylpyrazolidine-3,5-dione is sourced from PubChem (CID 17561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).