ChemSpider 2D Image | N-[4-(1H-Pyrazol-1-yl)-2-butanyl]-1-[3-(trifluoromethyl)benzyl]-1H-1,2,3-triazole-4-carboxamide | C18H19F3N6O

N-[4-(1H-Pyrazol-1-yl)-2-butanyl]-1-[3-(trifluoromethyl)benzyl]-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC18H19F3N6O
  • Average mass392.378 Da
  • Monoisotopic mass392.157257 Da
  • ChemSpider ID23054892

More details:






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

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

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.603
Molar Refractivity: 98.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.60
ACD/KOC (pH 5.5): 324.27
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.61
ACD/KOC (pH 7.4): 324.40
Polar Surface Area: 78 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 287.6±7.0 cm3

Click to predict properties on the Chemicalize site






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