ChemSpider 2D Image | N-Benzyl-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyrimidinamine | C18H18F3N5

N-Benzyl-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyrimidinamine

  • Molecular FormulaC18H18F3N5
  • Average mass361.364 Da
  • Monoisotopic mass361.151428 Da
  • ChemSpider ID23719985

More details:

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

2-Pyrimidinamine, 4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-N-(phenylmethyl)-6-(trifluoromethyl)- [ACD/Index Name]
N-Benzyl-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(trifluormethyl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
N-Benzyl-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyrimidinamine [ACD/IUPAC Name]
N-Benzyl-4-(1-éthyl-5-méthyl-1H-pyrazol-4-yl)-6-(trifluorométhyl)-2-pyrimidinamine [French] [ACD/IUPAC Name]
[6-(1-ethyl-5-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrimidin-2-yl]benzylamine
Benzyl-[4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-6-trifluoromethyl-pyrimidin-2-yl]-amine
N-benzyl-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
N-BENZYL-4-(1-ETHYL-5-METHYLPYRAZOL-4-YL)-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 507.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.5±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 93.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 912.79
ACD/KOC (pH 5.5): 4577.56
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 912.80
ACD/KOC (pH 7.4): 4577.59
Polar Surface Area: 56 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 39.4±7.0 dyne/cm
Molar Volume: 278.7±7.0 cm3

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