5-(3-aminophenyl)imino-2-phenylpyrazolidin-3-one

C15H14N4O — CID 135424251

IUPAC5-(3-aminophenyl)imino-2-phenylpyrazolidin-3-one
SMILESNc1cccc(/N=C2\CC(=O)N(c3ccccc3)N2)c1
InChIInChI=1S/C15H14N4O/c16-11-5-4-6-12(9-11)17-14-10-15(20)19(18-14)13-7-2-1-3-8-13/h1-9H,10,16H2,(H,17,18)
InChIKeyYGCYLYRGUCMWMI-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.24
Rot. Bonds2

About 5-(3-aminophenyl)imino-2-phenylpyrazolidin-3-one

5-(3-aminophenyl)imino-2-phenylpyrazolidin-3-one (PubChem CID 135424251) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(3-aminophenyl)imino-2-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name5-(3-aminophenyl)imino-2-phenylpyrazolidin-3-one
PubChem CID135424251
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name5-(3-aminophenyl)imino-2-phenylpyrazolidin-3-one
SMILESNc1cccc(/N=C2\CC(=O)N(c3ccccc3)N2)c1
InChIInChI=1S/C15H14N4O/c16-11-5-4-6-12(9-11)17-14-10-15(20)19(18-14)13-7-2-1-3-8-13/h1-9H,10,16H2,(H,17,18)
InChIKeyYGCYLYRGUCMWMI-UHFFFAOYSA-N
XLogP2.24
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenyl)imino-2-phenylpyrazolidin-3-one?
The IUPAC name of 5-(3-aminophenyl)imino-2-phenylpyrazolidin-3-one (CID 135424251) is 5-(3-aminophenyl)imino-2-phenylpyrazolidin-3-one.
What is the SMILES notation for 5-(3-aminophenyl)imino-2-phenylpyrazolidin-3-one?
The canonical SMILES for 5-(3-aminophenyl)imino-2-phenylpyrazolidin-3-one is Nc1cccc(/N=C2\CC(=O)N(c3ccccc3)N2)c1.
What is the InChIKey of 5-(3-aminophenyl)imino-2-phenylpyrazolidin-3-one?
The InChIKey is YGCYLYRGUCMWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-11-5-4-6-12(9-11)17-14-10-15(20)19(18-14)13-7-2-1-3-8-13/h1-9H,10,16H2,(H,17,18).
What are the key properties of 5-(3-aminophenyl)imino-2-phenylpyrazolidin-3-one?
5-(3-aminophenyl)imino-2-phenylpyrazolidin-3-one has a molecular weight of 266.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)imino-2-phenylpyrazolidin-3-one is sourced from PubChem (CID 135424251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).