ChemSpider 2D Image | 2-(1-Isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)ethanone | C22H29F3N4O3S

2-(1-Isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)ethanone

  • Molecular FormulaC22H29F3N4O3S
  • Average mass486.551 Da
  • Monoisotopic mass486.191254 Da
  • ChemSpider ID21693309

More details:

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

2-(1-Isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-{[3-(trifluormethyl)phenyl]sulfonyl}-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
2-(1-Isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)ethanone [ACD/IUPAC Name]
2-(1-Isobutyl-3,5-diméthyl-1H-pyrazol-4-yl)-1-(4-{[3-(trifluorométhyl)phényl]sulfonyl}-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]-1-[4-[[3-(trifluoromethyl)phenyl]sulfonyl]-1-piperazinyl]- [ACD/Index 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: 617.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 327.0±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 121.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 520.88
ACD/KOC (pH 5.5): 3059.96
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 523.07
ACD/KOC (pH 7.4): 3072.85
Polar Surface Area: 84 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 366.1±7.0 cm3

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