ChemSpider 2D Image | N-(3-Ethynylphenyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide | C20H11F6N3O

N-(3-Ethynylphenyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

  • Molecular FormulaC20H11F6N3O
  • Average mass423.311 Da
  • Monoisotopic mass423.080627 Da
  • ChemSpider ID33767874

More details:

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

1H-Pyrazole-4-carboxamide, N-(3-ethynylphenyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
N-(3-Ethinylphenyl)-5-(trifluormethyl)-1-[3-(trifluormethyl)phenyl]-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-(3-Ethynylphenyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
N-(3-Éthynylphényl)-5-(trifluorométhyl)-1-[3-(trifluorométhyl)phényl]-1H-pyrazole-4-carboxamide [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: 424.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 210.2±28.7 °C
Index of Refraction: 1.538
Molar Refractivity: 98.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 462.24
ACD/KOC (pH 5.5): 2812.64
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 462.17
ACD/KOC (pH 7.4): 2812.25
Polar Surface Area: 47 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 35.4±7.0 dyne/cm
Molar Volume: 313.6±7.0 cm3

Click to predict properties on the Chemicalize site


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