ChemSpider 2D Image | N-[3,5-Bis(trifluoromethyl)phenyl]-N~2~-{[5-(2-furyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}isovalinamide | C22H20F6N4O3

N-[3,5-Bis(trifluoromethyl)phenyl]-N2-{[5-(2-furyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}isovalinamide

  • Molecular FormulaC22H20F6N4O3
  • Average mass502.410 Da
  • Monoisotopic mass502.143951 Da
  • ChemSpider ID120968426

More details:

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

1H-Pyrazole-3-carboxamide, N-[1-[[[3,5-bis(trifluoromethyl)phenyl]amino]carbonyl]-1-methylpropyl]-5-(2-furanyl)-1-methyl- [ACD/Index Name]
N-[3,5-Bis(trifluormethyl)phenyl]-N2-{[5-(2-furyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}isovalinamid [German] [ACD/IUPAC Name]
N-[3,5-Bis(trifluoromethyl)phenyl]-N2-{[5-(2-furyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}isovalinamide [ACD/IUPAC Name]
N-[3,5-Bis(trifluorométhyl)phényl]-N2-{[5-(2-furyl)-1-méthyl-1H-pyrazol-3-yl]carbonyl}isovalinamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 584.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 307.0±30.1 °C
Index of Refraction: 1.543
Molar Refractivity: 112.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 822.20
ACD/KOC (pH 5.5): 4247.58
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 822.15
ACD/KOC (pH 7.4): 4247.31
Polar Surface Area: 89 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 37.7±7.0 dyne/cm
Molar Volume: 357.6±7.0 cm3

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