ChemSpider 2D Image | N-(3-Acetamidophenyl)-5-[(2E)-2-(4-methoxybenzylidene)hydrazino]-3-methyl-1H-pyrazole-4-carboxamide | C21H22N6O3

N-(3-Acetamidophenyl)-5-[(2E)-2-(4-methoxybenzylidene)hydrazino]-3-methyl-1H-pyrazole-4-carboxamide

  • Molecular FormulaC21H22N6O3
  • Average mass406.438 Da
  • Monoisotopic mass406.175354 Da
  • ChemSpider ID23335085

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrazole-4-carboxamide, N-[3-(acetylamino)phenyl]-5-[(2E)-2-[(4-methoxyphenyl)methylene]hydrazinyl]-3-methyl- [ACD/Index Name]
N-(3-Acetamidophenyl)-5-[(2E)-2-(4-methoxybenzyliden)hydrazino]-3-methyl-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-(3-Acetamidophenyl)-5-[(2E)-2-(4-methoxybenzylidene)hydrazino]-3-methyl-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
N-(3-Acétamidophényl)-5-[(2E)-2-(4-méthoxybenzylidène)hydrazino]-3-méthyl-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
N-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide
(E)-N-(3-Acetamidophenyl)-5-(2-(4-methoxybenzylidene)-hydrazinyl)-3-methyl-1H-pyrazole-4-carboxamide
1114979-12-2 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL515560/
N-[3-(acetylamino)phenyl]-5-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-3-methyl-1H-pyrazole-4-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 638.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.6±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 112.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 485.92
ACD/KOC (pH 5.5): 2911.88
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 486.66
ACD/KOC (pH 7.4): 2916.32
Polar Surface Area: 121 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 311.6±7.0 cm3

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