ChemSpider 2D Image | 2,2-Dimethyl-N-(1-{1-[2-(trifluoromethyl)benzyl]-4-piperidinyl}-1H-pyrazol-5-yl)propanamide | C21H27F3N4O

2,2-Dimethyl-N-(1-{1-[2-(trifluoromethyl)benzyl]-4-piperidinyl}-1H-pyrazol-5-yl)propanamide

  • Molecular FormulaC21H27F3N4O
  • Average mass408.461 Da
  • Monoisotopic mass408.213684 Da
  • ChemSpider ID22166819

More details:

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

2,2-Dimethyl-N-(1-{1-[2-(trifluormethyl)benzyl]-4-piperidinyl}-1H-pyrazol-5-yl)propanamid [German] [ACD/IUPAC Name]
2,2-Dimethyl-N-(1-{1-[2-(trifluoromethyl)benzyl]-4-piperidinyl}-1H-pyrazol-5-yl)propanamide [ACD/IUPAC Name]
2,2-Diméthyl-N-(1-{1-[2-(trifluorométhyl)benzyl]-4-pipéridinyl}-1H-pyrazol-5-yl)propanamide [French] [ACD/IUPAC Name]
Propanamide, 2,2-dimethyl-N-[1-[1-[[2-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]-1H-pyrazol-5-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 525.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.6±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 106.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 4.55
ACD/KOC (pH 5.5): 30.17
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 171.76
ACD/KOC (pH 7.4): 1138.62
Polar Surface Area: 50 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 38.5±7.0 dyne/cm
Molar Volume: 330.0±7.0 cm3

Click to predict properties on the Chemicalize site


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