ChemSpider 2D Image | 1-(1-{Cyclobutyl[4-(trifluoromethyl)phenyl]methyl}-3-cyclopropyl-5-iodo-1H-pyrazol-4-yl)methanamine | C19H21F3IN3

1-(1-{Cyclobutyl[4-(trifluoromethyl)phenyl]methyl}-3-cyclopropyl-5-iodo-1H-pyrazol-4-yl)methanamine

  • Molecular FormulaC19H21F3IN3
  • Average mass475.290 Da
  • Monoisotopic mass475.073212 Da
  • ChemSpider ID122447080

More details:

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

1-(1-{Cyclobutyl[4-(trifluormethyl)phenyl]methyl}-3-cyclopropyl-5-iod-1H-pyrazol-4-yl)methanamin [German] [ACD/IUPAC Name]
1-(1-{Cyclobutyl[4-(trifluoromethyl)phenyl]methyl}-3-cyclopropyl-5-iodo-1H-pyrazol-4-yl)methanamine [ACD/IUPAC Name]
1-(1-{Cyclobutyl[4-(trifluorométhyl)phényl]méthyl}-3-cyclopropyl-5-iodo-1H-pyrazol-4-yl)méthanamine [French] [ACD/IUPAC Name]
1H-Pyrazole-4-methanamine, 1-[cyclobutyl[4-(trifluoromethyl)phenyl]methyl]-3-cyclopropyl-5-iodo- [ACD/Index 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: 521.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 269.2±30.1 °C
Index of Refraction: 1.682
Molar Refractivity: 101.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 6.23
ACD/KOC (pH 5.5): 28.00
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 316.28
ACD/KOC (pH 7.4): 1421.03
Polar Surface Area: 44 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 268.3±7.0 cm3

Click to predict properties on the Chemicalize site


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