ChemSpider 2D Image | 3-(Acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide | C21H20Cl2N6O3

3-(Acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide

  • Molecular FormulaC21H20Cl2N6O3
  • Average mass475.328 Da
  • Monoisotopic mass474.097382 Da
  • ChemSpider ID31119477

More details:

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

1H-Pyrazole-5-carboxamide, 3-[(acetylamino)methyl]-N-[4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)- [ACD/Index Name]
3-(Acetamidomethyl)-N-[4-chlor-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chlor-2-pyridinyl)-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
3-(Acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
3-(Acétamidométhyl)-N-[4-chloro-2-méthyl-6-(méthylcarbamoyl)phényl]-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide [French] [ACD/IUPAC 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: 632.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.4±31.5 °C
Index of Refraction: 1.670
Molar Refractivity: 122.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.19
ACD/KOC (pH 5.5): 622.34
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.17
ACD/KOC (pH 7.4): 622.05
Polar Surface Area: 118 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 327.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement