1,2-diphenylpyrazolidine-3,4,5-trione

C15H10N2O3 — CID 162788375

IUPAC1,2-diphenylpyrazolidine-3,4,5-trione
SMILESO=C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C15H10N2O3/c18-13-14(19)16(11-7-3-1-4-8-11)17(15(13)20)12-9-5-2-6-10-12/h1-10H
InChIKeySLHZQUZPZVEWIS-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.55
Rot. Bonds2

About 1,2-diphenylpyrazolidine-3,4,5-trione

1,2-diphenylpyrazolidine-3,4,5-trione (PubChem CID 162788375) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1,2-diphenylpyrazolidine-3,4,5-trione.

Molecular Properties

Compound Name1,2-diphenylpyrazolidine-3,4,5-trione
PubChem CID162788375
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name1,2-diphenylpyrazolidine-3,4,5-trione
SMILESO=C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C15H10N2O3/c18-13-14(19)16(11-7-3-1-4-8-11)17(15(13)20)12-9-5-2-6-10-12/h1-10H
InChIKeySLHZQUZPZVEWIS-UHFFFAOYSA-N
XLogP1.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone
CID 22323521
4-(1,3-benzodithiol-2-ylidene)-1,2-diphenylpyrazolidine-3,5-dione
CID 155329829
4-amino-1,2-diphenylpyrazolidine-3,5-dione
CID 162789664
5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione
CID 171843834
3,4-difluoro-1-phenylpyrrole-2,5-dione
CID 13059269
1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione
CID 602962
4-[(E)-3-(4-hydroxyphenyl)prop-2-enylidene]-1,2-diphenylpyrazolidine-3,5-dione
CID 89027382
16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione
CID 102335192
4-[bis(methylsulfanyl)methylidene]-1-methyl-2-phenylpyrazolidine-3,5-dione
CID 10803753
4-(2-aminoethyl)-1,2-diphenylpyrazolidine-3,5-dione
CID 71334224
1-oxo-2,3-diphenyltriazolidin-1-ium-4-one
CID 88734678
3,4-diphenyl-1,3,4-oxadiazolidine-2,5-dione
CID 154131571

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylpyrazolidine-3,4,5-trione?
The IUPAC name of 1,2-diphenylpyrazolidine-3,4,5-trione (CID 162788375) is 1,2-diphenylpyrazolidine-3,4,5-trione.
What is the SMILES notation for 1,2-diphenylpyrazolidine-3,4,5-trione?
The canonical SMILES for 1,2-diphenylpyrazolidine-3,4,5-trione is O=C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of 1,2-diphenylpyrazolidine-3,4,5-trione?
The InChIKey is SLHZQUZPZVEWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-13-14(19)16(11-7-3-1-4-8-11)17(15(13)20)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 1,2-diphenylpyrazolidine-3,4,5-trione?
1,2-diphenylpyrazolidine-3,4,5-trione has a molecular weight of 266.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylpyrazolidine-3,4,5-trione is sourced from PubChem (CID 162788375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).