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

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

  • Molecular FormulaC21H29BrN2
  • Average mass389.372 Da
  • Monoisotopic mass388.151398 Da
  • ChemSpider ID123226576

More details:

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

1H-Pyrazole, 5-bromo-3-cyclobutyl-4-(1,1-dimethylethyl)-1-[[3-(1-methylethyl)phenyl]methyl]- [ACD/Index Name]
5-Brom-3-cyclobutyl-1-(3-isopropylbenzyl)-4-(2-methyl-2-propanyl)-1H-pyrazol [German] [ACD/IUPAC Name]
5-Bromo-3-cyclobutyl-1-(3-isopropylbenzyl)-4-(2-methyl-2-propanyl)-1H-pyrazole [ACD/IUPAC Name]
5-Bromo-3-cyclobutyl-1-(3-isopropylbenzyl)-4-(2-méthyl-2-propanyl)-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: 466.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 235.7±28.7 °C
Index of Refraction: 1.589
Molar Refractivity: 105.9±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.27
ACD/LogD (pH 5.5): 6.81
ACD/BCF (pH 5.5): 87655.96
ACD/KOC (pH 5.5): 120114.93
ACD/LogD (pH 7.4): 6.81
ACD/BCF (pH 7.4): 87673.77
ACD/KOC (pH 7.4): 120139.33
Polar Surface Area: 18 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 37.1±7.0 dyne/cm
Molar Volume: 314.1±7.0 cm3

Click to predict properties on the Chemicalize site


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