ChemSpider 2D Image | 3-[3-(1-Methyl-1H-pyrazol-4-yl)phenyl]-1-(4,4,4-trifluorobutyl)-1H-pyrazole | C17H17F3N4

3-[3-(1-Methyl-1H-pyrazol-4-yl)phenyl]-1-(4,4,4-trifluorobutyl)-1H-pyrazole

  • Molecular FormulaC17H17F3N4
  • Average mass334.339 Da
  • Monoisotopic mass334.140533 Da
  • ChemSpider ID22521140

More details:

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

1H-Pyrazole, 3-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]-1-(4,4,4-trifluorobutyl)- [ACD/Index Name]
3-[3-(1-Methyl-1H-pyrazol-4-yl)phenyl]-1-(4,4,4-trifluorbutyl)-1H-pyrazol [German] [ACD/IUPAC Name]
3-[3-(1-Methyl-1H-pyrazol-4-yl)phenyl]-1-(4,4,4-trifluorobutyl)-1H-pyrazole [ACD/IUPAC Name]
3-[3-(1-Méthyl-1H-pyrazol-4-yl)phényl]-1-(4,4,4-trifluorobutyl)-1H-pyrazole [French] [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: 451.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 227.0±28.7 °C
Index of Refraction: 1.572
Molar Refractivity: 87.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 311.77
ACD/KOC (pH 5.5): 2121.62
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 311.84
ACD/KOC (pH 7.4): 2122.10
Polar Surface Area: 36 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 39.0±7.0 dyne/cm
Molar Volume: 264.9±7.0 cm3

Click to predict properties on the Chemicalize site


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