ChemSpider 2D Image | 3-Cyclobutyl-5-iodo-1-[4-(2-methyl-2-propanyl)benzyl]-1H-pyrazole | C18H23IN2

3-Cyclobutyl-5-iodo-1-[4-(2-methyl-2-propanyl)benzyl]-1H-pyrazole

  • Molecular FormulaC18H23IN2
  • Average mass394.293 Da
  • Monoisotopic mass394.090576 Da
  • ChemSpider ID117090153

More details:

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

1H-Pyrazole, 3-cyclobutyl-1-[[4-(1,1-dimethylethyl)phenyl]methyl]-5-iodo- [ACD/Index Name]
3-Cyclobutyl-5-iod-1-[4-(2-methyl-2-propanyl)benzyl]-1H-pyrazol [German] [ACD/IUPAC Name]
3-Cyclobutyl-5-iodo-1-[4-(2-methyl-2-propanyl)benzyl]-1H-pyrazole [ACD/IUPAC Name]
3-Cyclobutyl-5-iodo-1-[4-(2-méthyl-2-propanyl)benzyl]-1H-pyrazole [French] [ACD/IUPAC 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: 464.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 234.4±28.7 °C
Index of Refraction: 1.634
Molar Refractivity: 97.5±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17476.60
ACD/KOC (pH 5.5): 37873.11
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 17477.54
ACD/KOC (pH 7.4): 37875.15
Polar Surface Area: 18 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 41.9±7.0 dyne/cm
Molar Volume: 272.7±7.0 cm3

Click to predict properties on the Chemicalize site


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