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

C15H11Cl3N4O — CID 135848165

IUPAC5-(4-aminophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one
SMILESNc1ccc(/N=C2\CC(=O)N(c3c(Cl)cc(Cl)cc3Cl)N2)cc1
InChIInChI=1S/C15H11Cl3N4O/c16-8-5-11(17)15(12(18)6-8)22-14(23)7-13(21-22)20-10-3-1-9(19)2-4-10/h1-6H,7,19H2,(H,20,21)
InChIKeyGETZSZYSBMWLSO-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.20
Rot. Bonds2

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

5-(4-aminophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one (PubChem CID 135848165) has the molecular formula C15H11Cl3N4O and a molecular weight of 369.64 g/mol. Its IUPAC name is 5-(4-aminophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name5-(4-aminophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one
PubChem CID135848165
Molecular FormulaC15H11Cl3N4O
Molecular Weight369.64 g/mol
Exact Mass368.00
IUPAC Name5-(4-aminophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one
SMILESNc1ccc(/N=C2\CC(=O)N(c3c(Cl)cc(Cl)cc3Cl)N2)cc1
InChIInChI=1S/C15H11Cl3N4O/c16-8-5-11(17)15(12(18)6-8)22-14(23)7-13(21-22)20-10-3-1-9(19)2-4-10/h1-6H,7,19H2,(H,20,21)
InChIKeyGETZSZYSBMWLSO-UHFFFAOYSA-N
XLogP4.20
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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-(4-aminophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one?
The IUPAC name of 5-(4-aminophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one (CID 135848165) is 5-(4-aminophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one.
What is the SMILES notation for 5-(4-aminophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one?
The canonical SMILES for 5-(4-aminophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one is Nc1ccc(/N=C2\CC(=O)N(c3c(Cl)cc(Cl)cc3Cl)N2)cc1.
What is the InChIKey of 5-(4-aminophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one?
The InChIKey is GETZSZYSBMWLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N4O/c16-8-5-11(17)15(12(18)6-8)22-14(23)7-13(21-22)20-10-3-1-9(19)2-4-10/h1-6H,7,19H2,(H,20,21).
What are the key properties of 5-(4-aminophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one?
5-(4-aminophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one has a molecular weight of 369.64 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one is sourced from PubChem (CID 135848165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).