ChemSpider 2D Image | N-Methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1-[3-(trifluoromethyl)benzyl]-1H-1,2,3-triazole-4-carboxamide | C18H19F3N6O

N-Methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1-[3-(trifluoromethyl)benzyl]-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC18H19F3N6O
  • Average mass392.378 Da
  • Monoisotopic mass392.157257 Da
  • ChemSpider ID22130149

More details:






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

1H-1,2,3-Triazole-4-carboxamide, N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
N-Methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1-[3-(trifluormethyl)benzyl]-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
N-Methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1-[3-(trifluoromethyl)benzyl]-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
N-Méthyl-N-[2-(1-méthyl-1H-pyrazol-4-yl)éthyl]-1-[3-(trifluorométhyl)benzyl]-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 567.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.7±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 99.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.65
ACD/KOC (pH 5.5): 225.94
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.65
ACD/KOC (pH 7.4): 226.08
Polar Surface Area: 69 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 292.8±7.0 cm3

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