ChemSpider 2D Image | 3-Cyclobutyl-1-{cyclobutyl[4-(trifluoromethyl)phenyl]methyl}-5-iodo-1H-pyrazole-4-carboxamide | C20H21F3IN3O

3-Cyclobutyl-1-{cyclobutyl[4-(trifluoromethyl)phenyl]methyl}-5-iodo-1H-pyrazole-4-carboxamide

  • Molecular FormulaC20H21F3IN3O
  • Average mass503.300 Da
  • Monoisotopic mass503.068146 Da
  • ChemSpider ID122448109

More details:

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

1H-Pyrazole-4-carboxamide, 3-cyclobutyl-1-[cyclobutyl[4-(trifluoromethyl)phenyl]methyl]-5-iodo- [ACD/Index Name]
3-Cyclobutyl-1-{cyclobutyl[4-(trifluormethyl)phenyl]methyl}-5-iod-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
3-Cyclobutyl-1-{cyclobutyl[4-(trifluoromethyl)phenyl]methyl}-5-iodo-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
3-Cyclobutyl-1-{cyclobutyl[4-(trifluorométhyl)phényl]méthyl}-5-iodo-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 544.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 283.0±30.1 °C
Index of Refraction: 1.686
Molar Refractivity: 107.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1087.37
ACD/KOC (pH 5.5): 5188.46
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1087.37
ACD/KOC (pH 7.4): 5188.46
Polar Surface Area: 61 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 281.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement