ChemSpider 2D Image | N-(2-{[2-Methyl-6-(1H-pyrazol-1-yl)-4-pyrimidinyl]amino}ethyl)-3-(trifluoromethyl)benzamide | C18H17F3N6O

N-(2-{[2-Methyl-6-(1H-pyrazol-1-yl)-4-pyrimidinyl]amino}ethyl)-3-(trifluoromethyl)benzamide

  • Molecular FormulaC18H17F3N6O
  • Average mass390.362 Da
  • Monoisotopic mass390.141602 Da
  • ChemSpider ID22541635

More details:

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

Benzamide, N-[2-[[2-methyl-6-(1H-pyrazol-1-yl)-4-pyrimidinyl]amino]ethyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-(2-{[2-Methyl-6-(1H-pyrazol-1-yl)-4-pyrimidinyl]amino}ethyl)-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-(2-{[2-Methyl-6-(1H-pyrazol-1-yl)-4-pyrimidinyl]amino}ethyl)-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-(2-{[2-Méthyl-6-(1H-pyrazol-1-yl)-4-pyrimidinyl]amino}éthyl)-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
1171355-95-5 [RN]
N-(2-((2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)amino)ethyl)-3-(trifluoromethyl)benzamide
N-(2-{[2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl]amino}ethyl)-3-(trifluoromethyl)benzamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 581.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.6±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 97.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 68.41
ACD/KOC (pH 5.5): 649.76
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.00
ACD/KOC (pH 7.4): 911.76
Polar Surface Area: 85 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 281.5±7.0 cm3

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