ChemSpider 2D Image | [3-(Dimethylamino)-1-piperidinyl]{5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}methanone | C19H20F6N4O

[3-(Dimethylamino)-1-piperidinyl]{5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}methanone

  • Molecular FormulaC19H20F6N4O
  • Average mass434.379 Da
  • Monoisotopic mass434.154144 Da
  • ChemSpider ID33826922

More details:






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

[3-(Dimethylamino)-1-piperidinyl]{5-(trifluormethyl)-1-[3-(trifluormethyl)phenyl]-1H-pyrazol-4-yl}methanon [German] [ACD/IUPAC Name]
[3-(Dimethylamino)-1-piperidinyl]{5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}methanone [ACD/IUPAC Name]
[3-(Diméthylamino)-1-pipéridinyl]{5-(trifluorométhyl)-1-[3-(trifluorométhyl)phényl]-1H-pyrazol-4-yl}méthanone [French] [ACD/IUPAC Name]
Methanone, [3-(dimethylamino)-1-piperidinyl][5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]- [ACD/Index 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: 486.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 247.9±28.7 °C
Index of Refraction: 1.539
Molar Refractivity: 98.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.59
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 13.75
ACD/KOC (pH 7.4): 112.19
Polar Surface Area: 41 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 35.9±7.0 dyne/cm
Molar Volume: 313.5±7.0 cm3

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