ChemSpider 2D Image | 3-Methyl-1-[4-(methylsulfonyl)phenyl]-5-phenyl-1H-pyrazole | C17H16N2O2S

3-Methyl-1-[4-(methylsulfonyl)phenyl]-5-phenyl-1H-pyrazole

  • Molecular FormulaC17H16N2O2S
  • Average mass312.386 Da
  • Monoisotopic mass312.093262 Da
  • ChemSpider ID23235122

More details:

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

1H-Pyrazole, 3-methyl-1-[4-(methylsulfonyl)phenyl]-5-phenyl- [ACD/Index Name]
3-Methyl-1-[4-(methylsulfonyl)phenyl]-5-phenyl-1H-pyrazol [German] [ACD/IUPAC Name]
3-Methyl-1-[4-(methylsulfonyl)phenyl]-5-phenyl-1H-pyrazole [ACD/IUPAC Name]
3-Méthyl-1-[4-(méthylsulfonyl)phényl]-5-phényl-1H-pyrazole [French] [ACD/IUPAC Name]
443919-97-9 [RN]
1-(4-Methanesulfonyl-phenyl)-3-methyl-5-phenyl-1H-pyrazole
CHEMBL349518
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL349518/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 513.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 264.5±27.9 °C
Index of Refraction: 1.621
Molar Refractivity: 89.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 116.65
ACD/KOC (pH 5.5): 1049.75
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.65
ACD/KOC (pH 7.4): 1049.76
Polar Surface Area: 60 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 254.8±7.0 cm3

Click to predict properties on the Chemicalize site


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