ChemSpider 2D Image | N-Methyl-2-(1H-pyrazol-1-yl)-N-[(1-{2-[3-(trifluoromethyl)phenyl]ethyl}-3-piperidinyl)methyl]acetamide | C21H27F3N4O

N-Methyl-2-(1H-pyrazol-1-yl)-N-[(1-{2-[3-(trifluoromethyl)phenyl]ethyl}-3-piperidinyl)methyl]acetamide

  • Molecular FormulaC21H27F3N4O
  • Average mass408.461 Da
  • Monoisotopic mass408.213684 Da
  • ChemSpider ID22215348

More details:

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

1H-Pyrazole-1-acetamide, N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-piperidinyl]methyl]- [ACD/Index Name]
N-Methyl-2-(1H-pyrazol-1-yl)-N-[(1-{2-[3-(trifluormethyl)phenyl]ethyl}-3-piperidinyl)methyl]acetamid [German] [ACD/IUPAC Name]
N-Methyl-2-(1H-pyrazol-1-yl)-N-[(1-{2-[3-(trifluoromethyl)phenyl]ethyl}-3-piperidinyl)methyl]acetamide [ACD/IUPAC Name]
N-Méthyl-2-(1H-pyrazol-1-yl)-N-[(1-{2-[3-(trifluorométhyl)phényl]éthyl}-3-pipéridinyl)méthyl]acétamide [French] [ACD/IUPAC Name]
N-METHYL-2-(1H-PYRAZOL-1-YL)-N-[(1-{2-[3-(TRIFLUOROMETHYL)PHENYL]ETHYL}PIPERIDIN-3-YL)METHYL]ACETAMIDE
N-METHYL-2-(PYRAZOL-1-YL)-N-[(1-{2-[3-(TRIFLUOROMETHYL)PHENYL]ETHYL}PIPERIDIN-3-YL)METHYL]ACETAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 495.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.4±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 107.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.21
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 10.00
ACD/KOC (pH 7.4): 77.94
Polar Surface Area: 41 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 40.1±7.0 dyne/cm
Molar Volume: 332.5±7.0 cm3

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