ChemSpider 2D Image | N-[3,5-Bis(trifluoromethyl)phenyl]-1'-ethyl-3',5'-dimethyl-1H,1'H-3,4'-bipyrazole-5-carboxamide | C19H17F6N5O

N-[3,5-Bis(trifluoromethyl)phenyl]-1'-ethyl-3',5'-dimethyl-1H,1'H-3,4'-bipyrazole-5-carboxamide

  • Molecular FormulaC19H17F6N5O
  • Average mass445.362 Da
  • Monoisotopic mass445.133728 Da
  • ChemSpider ID126294958

More details:

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

[3,4'-Bi-1H-pyrazole]-5-carboxamide, N-[3,5-bis(trifluoromethyl)phenyl]-1'-ethyl-3',5'-dimethyl- [ACD/Index Name]
N-[3,5-Bis(trifluormethyl)phenyl]-1'-ethyl-3',5'-dimethyl-1H,1'H-3,4'-bipyrazol-5-carboxamid [German] [ACD/IUPAC Name]
N-[3,5-Bis(trifluoromethyl)phenyl]-1'-ethyl-3',5'-dimethyl-1H,1'H-3,4'-bipyrazole-5-carboxamide [ACD/IUPAC Name]
N-[3,5-Bis(trifluorométhyl)phényl]-1'-éthyl-3',5'-diméthyl-1H,1'H-3,4'-bipyrazole-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: 438.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.2±28.7 °C
Index of Refraction: 1.564
Molar Refractivity: 99.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 3020.50
ACD/KOC (pH 5.5): 10779.20
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2960.18
ACD/KOC (pH 7.4): 10563.96
Polar Surface Area: 76 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 36.6±7.0 dyne/cm
Molar Volume: 305.1±7.0 cm3

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