ChemSpider 2D Image | 2,2-Dimethoxy-1-(4-{[4-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}-1-piperazinyl)ethanone | C13H17F3N4O4

2,2-Dimethoxy-1-(4-{[4-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}-1-piperazinyl)ethanone

  • Molecular FormulaC13H17F3N4O4
  • Average mass350.294 Da
  • Monoisotopic mass350.120178 Da
  • ChemSpider ID81157709

More details:

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

2,2-Dimethoxy-1-(4-{[4-(trifluormethyl)-1H-pyrazol-5-yl]carbonyl}-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
2,2-Dimethoxy-1-(4-{[4-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}-1-piperazinyl)ethanone [ACD/IUPAC Name]
2,2-Diméthoxy-1-(4-{[4-(trifluorométhyl)-1H-pyrazol-5-yl]carbonyl}-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2,2-dimethoxy-1-[4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 533.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.7±30.1 °C
Index of Refraction: 1.514
Molar Refractivity: 74.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.31
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.59
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.56
Polar Surface Area: 88 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 248.0±3.0 cm3

Click to predict properties on the Chemicalize site


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