2-phenyl-5-phenyliminopyrazolidin-3-one

C15H13N3O — CID 135461894

IUPAC2-phenyl-5-phenyliminopyrazolidin-3-one
SMILESO=C1C/C(=N\c2ccccc2)NN1c1ccccc1
InChIInChI=1S/C15H13N3O/c19-15-11-14(16-12-7-3-1-4-8-12)17-18(15)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17)
InChIKeyBYHCBLSQLHOONI-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.66
Rot. Bonds2

About 2-phenyl-5-phenyliminopyrazolidin-3-one

2-phenyl-5-phenyliminopyrazolidin-3-one (PubChem CID 135461894) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-phenyl-5-phenyliminopyrazolidin-3-one.

Molecular Properties

Compound Name2-phenyl-5-phenyliminopyrazolidin-3-one
PubChem CID135461894
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-phenyl-5-phenyliminopyrazolidin-3-one
SMILESO=C1C/C(=N\c2ccccc2)NN1c1ccccc1
InChIInChI=1S/C15H13N3O/c19-15-11-14(16-12-7-3-1-4-8-12)17-18(15)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17)
InChIKeyBYHCBLSQLHOONI-UHFFFAOYSA-N
XLogP2.66
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Phenidone
CID 7090
N-Acetyl-1,2-diphenylhydrazine
CID 140901
3-amino-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
CID 77794
3H-Pyrazol-3-one, 5-((2,4-dichlorophenyl)amino)-2,4-dihydro-2-(2,4,6-trichlorophenyl)-
CID 135436551
N-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetamide
CID 788029
1-Phenylpyrazolidine-3,5-dione
CID 268117
2-(1H-tetrazol-5-yl)acetanilide
CID 12590729
ST51040341
CID 135440545
3-(3-Aminophenylamino)-1-phenyl-2-pyrazolin-5-one
CID 135424251
3-[(4-fluorophenyl)amino]-4,5-dihydro-1H-pyrazol-5-one
CID 135419052
5-(4-Bromophenyl)imino-2-phenylpyrazolidin-3-one
CID 135543203
5-Hydroxy-1-phenyl-1H-1,2,3-triazole-4-carboxanilide
CID 555325

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-phenyliminopyrazolidin-3-one?
The IUPAC name of 2-phenyl-5-phenyliminopyrazolidin-3-one (CID 135461894) is 2-phenyl-5-phenyliminopyrazolidin-3-one.
What is the SMILES notation for 2-phenyl-5-phenyliminopyrazolidin-3-one?
The canonical SMILES for 2-phenyl-5-phenyliminopyrazolidin-3-one is O=C1C/C(=N\c2ccccc2)NN1c1ccccc1.
What is the InChIKey of 2-phenyl-5-phenyliminopyrazolidin-3-one?
The InChIKey is BYHCBLSQLHOONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c19-15-11-14(16-12-7-3-1-4-8-12)17-18(15)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17).
What are the key properties of 2-phenyl-5-phenyliminopyrazolidin-3-one?
2-phenyl-5-phenyliminopyrazolidin-3-one has a molecular weight of 251.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-phenyliminopyrazolidin-3-one is sourced from PubChem (CID 135461894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).