ChemSpider 2D Image | 2-[1-(2,4-Difluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-N-[2-(4-methyl-1-piperidinyl)ethyl]acetamide | C21H28F2N4O

2-[1-(2,4-Difluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-N-[2-(4-methyl-1-piperidinyl)ethyl]acetamide

  • Molecular FormulaC21H28F2N4O
  • Average mass390.470 Da
  • Monoisotopic mass390.223114 Da
  • ChemSpider ID30709906

More details:

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

1H-Pyrazole-4-acetamide, 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[2-(4-methyl-1-piperidinyl)ethyl]- [ACD/Index Name]
2-[1-(2,4-Difluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-N-[2-(4-methyl-1-piperidinyl)ethyl]acetamide [ACD/IUPAC Name]
2-[1-(2,4-Difluorophényl)-3,5-diméthyl-1H-pyrazol-4-yl]-N-[2-(4-méthyl-1-pipéridinyl)éthyl]acétamide [French] [ACD/IUPAC Name]
2-[1-(2,4-Difluorphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-N-[2-(4-methyl-1-piperidinyl)ethyl]acetamid [German] [ACD/IUPAC 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: 555.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.7±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 105.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.96
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 8.22
ACD/KOC (pH 7.4): 66.29
Polar Surface Area: 50 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 39.2±7.0 dyne/cm
Molar Volume: 316.4±7.0 cm3

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