ChemSpider 2D Image | 2-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-[4-(methylsulfonyl)-1-piperazinyl]ethanone | C12H20N4O3S

2-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-[4-(methylsulfonyl)-1-piperazinyl]ethanone

  • Molecular FormulaC12H20N4O3S
  • Average mass300.377 Da
  • Monoisotopic mass300.125610 Da
  • ChemSpider ID26194154

More details:

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

2-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-[4-(methylsulfonyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-[4-(methylsulfonyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
2-(3,5-Diméthyl-1H-pyrazol-1-yl)-1-[4-(méthylsulfonyl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[4-(methylsulfonyl)-1-piperazinyl]- [ACD/Index Name]
1207021-61-1 [RN]
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-(methylsulfonyl)piperazin-1-yl)ethanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 502.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 257.9±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 77.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.13
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.99
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.06
Polar Surface Area: 84 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 220.9±7.0 cm3

Click to predict properties on the Chemicalize site


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