ChemSpider 2D Image | 5-Bromo-3-cyclobutyl-4-(2-methyl-2-propanyl)-1-(2,4,5-trimethylbenzyl)-1H-pyrazole | C21H29BrN2

5-Bromo-3-cyclobutyl-4-(2-methyl-2-propanyl)-1-(2,4,5-trimethylbenzyl)-1H-pyrazole

  • Molecular FormulaC21H29BrN2
  • Average mass389.372 Da
  • Monoisotopic mass388.151398 Da
  • ChemSpider ID123226831

More details:

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

1H-Pyrazole, 5-bromo-3-cyclobutyl-4-(1,1-dimethylethyl)-1-[(2,4,5-trimethylphenyl)methyl]- [ACD/Index Name]
5-Brom-3-cyclobutyl-4-(2-methyl-2-propanyl)-1-(2,4,5-trimethylbenzyl)-1H-pyrazol [German] [ACD/IUPAC Name]
5-Bromo-3-cyclobutyl-4-(2-methyl-2-propanyl)-1-(2,4,5-trimethylbenzyl)-1H-pyrazole [ACD/IUPAC Name]
5-Bromo-3-cyclobutyl-4-(2-méthyl-2-propanyl)-1-(2,4,5-triméthylbenzyl)-1H-pyrazole [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 482.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 245.5±28.7 °C
Index of Refraction: 1.590
Molar Refractivity: 105.7±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.31
ACD/LogD (pH 5.5): 6.69
ACD/BCF (pH 5.5): 71193.97
ACD/KOC (pH 5.5): 103497.37
ACD/LogD (pH 7.4): 6.69
ACD/BCF (pH 7.4): 71211.17
ACD/KOC (pH 7.4): 103522.37
Polar Surface Area: 18 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 36.1±7.0 dyne/cm
Molar Volume: 313.3±7.0 cm3

Click to predict properties on the Chemicalize site


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