ChemSpider 2D Image | 5-[(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole | C15H12ClF3N4O

5-[(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

  • Molecular FormulaC15H12ClF3N4O
  • Average mass356.730 Da
  • Monoisotopic mass356.065186 Da
  • ChemSpider ID21628588

More details:

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

1,2,4-Oxadiazole, 5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
5-[(4-Chlor-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3-[3-(trifluormethyl)phenyl]-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
5-[(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole [ACD/IUPAC Name]
5-[(4-Chloro-3,5-diméthyl-1H-pyrazol-1-yl)méthyl]-3-[3-(trifluorométhyl)phényl]-1,2,4-oxadiazole [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 453.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 228.3±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 82.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2066.55
ACD/KOC (pH 5.5): 8215.78
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2066.57
ACD/KOC (pH 7.4): 8215.85
Polar Surface Area: 57 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 241.6±7.0 cm3

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