ChemSpider 2D Image | N-{[3-(4-Fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethanamine | C17H21FN6O

N-{[3-(4-Fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethanamine

  • Molecular FormulaC17H21FN6O
  • Average mass344.387 Da
  • Monoisotopic mass344.176086 Da
  • ChemSpider ID29523106

More details:

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

4H-1,2,4-Triazole-3-methanamine, N-[[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyethyl)-α-methyl- [ACD/Index Name]
N-{[3-(4-Fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethanamine [ACD/IUPAC Name]
N-{[3-(4-Fluorophényl)-1H-pyrazol-4-yl]méthyl}-1-[4-(2-méthoxyéthyl)-4H-1,2,4-triazol-3-yl]éthanamine [French] [ACD/IUPAC Name]
N-{[3-(4-Fluorphenyl)-1H-pyrazol-4-yl]methyl}-1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethanamin [German] [ACD/IUPAC 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: 579.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.4±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 93.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 5.02
ACD/KOC (pH 5.5): 84.37
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.67
ACD/KOC (pH 7.4): 213.13
Polar Surface Area: 81 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 262.7±7.0 cm3

Click to predict properties on the Chemicalize site


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