ChemSpider 2D Image | 2-Methyl-2-propanyl 2-[({[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}amino)methyl]-1-piperidinecarboxylate | C17H25F3N4O3

2-Methyl-2-propanyl 2-[({[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}amino)methyl]-1-piperidinecarboxylate

  • Molecular FormulaC17H25F3N4O3
  • Average mass390.401 Da
  • Monoisotopic mass390.187866 Da
  • ChemSpider ID31927137

More details:

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

1-Piperidinecarboxylic acid, 2-[[[[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl]amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-[({[1-Méthyl-3-(trifluorométhyl)-1H-pyrazol-4-yl]carbonyl}amino)méthyl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-[({[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}amino)methyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-[({[1-methyl-3-(trifluormethyl)-1H-pyrazol-4-yl]carbonyl}amino)methyl]-1-piperidincarboxylat [German] [ACD/IUPAC 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: 496.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 254.2±28.7 °C
Index of Refraction: 1.537
Molar Refractivity: 92.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.53
ACD/KOC (pH 5.5): 543.73
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.53
ACD/KOC (pH 7.4): 543.73
Polar Surface Area: 76 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 38.4±7.0 dyne/cm
Molar Volume: 297.2±7.0 cm3

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