ChemSpider 2D Image | 1-(4-Chlorophenyl)-N-{[1-(dimethylamino)-3-methylcyclohexyl]methyl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide | C21H26ClF3N4O

1-(4-Chlorophenyl)-N-{[1-(dimethylamino)-3-methylcyclohexyl]methyl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

  • Molecular FormulaC21H26ClF3N4O
  • Average mass442.905 Da
  • Monoisotopic mass442.174713 Da
  • ChemSpider ID30084746

More details:

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

1-(4-Chlorophenyl)-N-{[1-(dimethylamino)-3-methylcyclohexyl]methyl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
1-(4-Chlorophényl)-N-{[1-(diméthylamino)-3-méthylcyclohexyl]méthyl}-5-(trifluorométhyl)-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
1-(4-Chlorphenyl)-N-{[1-(dimethylamino)-3-methylcyclohexyl]methyl}-5-(trifluormethyl)-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxamide, 1-(4-chlorophenyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 529.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.1±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 111.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 3.73
ACD/KOC (pH 5.5): 11.88
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 14.45
ACD/KOC (pH 7.4): 45.96
Polar Surface Area: 50 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 39.5±7.0 dyne/cm
Molar Volume: 339.3±7.0 cm3

Click to predict properties on the Chemicalize site


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