ChemSpider 2D Image | 1-Benzyl-N-{2-[(4-bromo-2-methylphenyl)amino]-2-oxoethyl}-5-chloro-3-methyl-1H-pyrazole-4-carboxamide | C21H20BrClN4O2

1-Benzyl-N-{2-[(4-bromo-2-methylphenyl)amino]-2-oxoethyl}-5-chloro-3-methyl-1H-pyrazole-4-carboxamide

  • Molecular FormulaC21H20BrClN4O2
  • Average mass475.766 Da
  • Monoisotopic mass474.045807 Da
  • ChemSpider ID30643856

More details:

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

1-Benzyl-N-{2-[(4-brom-2-methylphenyl)amino]-2-oxoethyl}-5-chlor-3-methyl-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
1-Benzyl-N-{2-[(4-bromo-2-methylphenyl)amino]-2-oxoethyl}-5-chloro-3-methyl-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
1-Benzyl-N-{2-[(4-bromo-2-méthylphényl)amino]-2-oxoéthyl}-5-chloro-3-méthyl-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxamide, N-[2-[(4-bromo-2-methylphenyl)amino]-2-oxoethyl]-5-chloro-3-methyl-1-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 653.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 348.9±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 118.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1307.13
ACD/KOC (pH 5.5): 5919.14
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1307.02
ACD/KOC (pH 7.4): 5918.63
Polar Surface Area: 76 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 324.5±7.0 cm3

Click to predict properties on the Chemicalize site


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