ChemSpider 2D Image | 1-[2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethyl]-5-(2-{[3-(trifluoromethyl)benzyl]amino}ethyl)-2-pyrrolidinone | C21H27F3N4O

1-[2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethyl]-5-(2-{[3-(trifluoromethyl)benzyl]amino}ethyl)-2-pyrrolidinone

  • Molecular FormulaC21H27F3N4O
  • Average mass408.461 Da
  • Monoisotopic mass408.213684 Da
  • ChemSpider ID22140600

More details:

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

1-[2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethyl]-5-(2-{[3-(trifluormethyl)benzyl]amino}ethyl)-2-pyrrolidinon [German] [ACD/IUPAC Name]
1-[2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethyl]-5-(2-{[3-(trifluoromethyl)benzyl]amino}ethyl)-2-pyrrolidinone [ACD/IUPAC Name]
1-[2-(3,5-Diméthyl-1H-pyrazol-1-yl)éthyl]-5-(2-{[3-(trifluorométhyl)benzyl]amino}éthyl)-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5-[2-[[[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]- [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: 519.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 267.8±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 106.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.20
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 9.00
ACD/KOC (pH 7.4): 66.93
Polar Surface Area: 50 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 39.2±7.0 dyne/cm
Molar Volume: 325.5±7.0 cm3

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