5-(2,4-dichlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one

C15H8Cl5N3O — CID 135436551

IUPAC5-(2,4-dichlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one
SMILESO=C1C/C(=N\c2ccc(Cl)cc2Cl)NN1c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C15H8Cl5N3O/c16-7-1-2-12(9(18)3-7)21-13-6-14(24)23(22-13)15-10(19)4-8(17)5-11(15)20/h1-5H,6H2,(H,21,22)
InChIKeySFHFZFPJBHUPNX-UHFFFAOYSA-N
MW423.51 g/mol
LogP5.93
Rot. Bonds2

About 5-(2,4-dichlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one

5-(2,4-dichlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one (PubChem CID 135436551) has the molecular formula C15H8Cl5N3O and a molecular weight of 423.51 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one
PubChem CID135436551
Molecular FormulaC15H8Cl5N3O
Molecular Weight423.51 g/mol
Exact Mass420.91
IUPAC Name5-(2,4-dichlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one
SMILESO=C1C/C(=N\c2ccc(Cl)cc2Cl)NN1c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C15H8Cl5N3O/c16-7-1-2-12(9(18)3-7)21-13-6-14(24)23(22-13)15-10(19)4-8(17)5-11(15)20/h1-5H,6H2,(H,21,22)
InChIKeySFHFZFPJBHUPNX-UHFFFAOYSA-N
XLogP5.93
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one?
The IUPAC name of 5-(2,4-dichlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one (CID 135436551) is 5-(2,4-dichlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one.
What is the SMILES notation for 5-(2,4-dichlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one?
The canonical SMILES for 5-(2,4-dichlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one is O=C1C/C(=N\c2ccc(Cl)cc2Cl)NN1c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one?
The InChIKey is SFHFZFPJBHUPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl5N3O/c16-7-1-2-12(9(18)3-7)21-13-6-14(24)23(22-13)15-10(19)4-8(17)5-11(15)20/h1-5H,6H2,(H,21,22).
What are the key properties of 5-(2,4-dichlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one?
5-(2,4-dichlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one has a molecular weight of 423.51 g/mol, XLogP of 5.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one is sourced from PubChem (CID 135436551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).