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

C15H10Cl4N4O — CID 135400181

IUPAC5-(5-amino-2-chlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one
SMILESNc1ccc(Cl)c(/N=C2\CC(=O)N(c3c(Cl)cc(Cl)cc3Cl)N2)c1
InChIInChI=1S/C15H10Cl4N4O/c16-7-3-10(18)15(11(19)4-7)23-14(24)6-13(22-23)21-12-5-8(20)1-2-9(12)17/h1-5H,6,20H2,(H,21,22)
InChIKeyLDWDFXXBUGPHRO-UHFFFAOYSA-N
MW404.08 g/mol
LogP4.85
Rot. Bonds2

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

5-(5-amino-2-chlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one (PubChem CID 135400181) has the molecular formula C15H10Cl4N4O and a molecular weight of 404.08 g/mol. Its IUPAC name is 5-(5-amino-2-chlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name5-(5-amino-2-chlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one
PubChem CID135400181
Molecular FormulaC15H10Cl4N4O
Molecular Weight404.08 g/mol
Exact Mass401.96
IUPAC Name5-(5-amino-2-chlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one
SMILESNc1ccc(Cl)c(/N=C2\CC(=O)N(c3c(Cl)cc(Cl)cc3Cl)N2)c1
InChIInChI=1S/C15H10Cl4N4O/c16-7-3-10(18)15(11(19)4-7)23-14(24)6-13(22-23)21-12-5-8(20)1-2-9(12)17/h1-5H,6,20H2,(H,21,22)
InChIKeyLDWDFXXBUGPHRO-UHFFFAOYSA-N
XLogP4.85
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.08
LogP ≤ 54.85
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'}

Analyze 5-(5-amino-2-chlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-chlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one?
The IUPAC name of 5-(5-amino-2-chlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one (CID 135400181) is 5-(5-amino-2-chlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one.
What is the SMILES notation for 5-(5-amino-2-chlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one?
The canonical SMILES for 5-(5-amino-2-chlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one is Nc1ccc(Cl)c(/N=C2\CC(=O)N(c3c(Cl)cc(Cl)cc3Cl)N2)c1.
What is the InChIKey of 5-(5-amino-2-chlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one?
The InChIKey is LDWDFXXBUGPHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4N4O/c16-7-3-10(18)15(11(19)4-7)23-14(24)6-13(22-23)21-12-5-8(20)1-2-9(12)17/h1-5H,6,20H2,(H,21,22).
What are the key properties of 5-(5-amino-2-chlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one?
5-(5-amino-2-chlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one has a molecular weight of 404.08 g/mol, XLogP of 4.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-chlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one is sourced from PubChem (CID 135400181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).