ChemSpider 2D Image | (5-Amino-3-cyclobutyl-1-{cyclobutyl[2-fluoro-4-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-4-yl)methanol | C20H23F4N3O

(5-Amino-3-cyclobutyl-1-{cyclobutyl[2-fluoro-4-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-4-yl)methanol

  • Molecular FormulaC20H23F4N3O
  • Average mass397.410 Da
  • Monoisotopic mass397.177734 Da
  • ChemSpider ID122465280

More details:

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

(5-Amino-3-cyclobutyl-1-{cyclobutyl[2-fluor-4-(trifluormethyl)phenyl]methyl}-1H-pyrazol-4-yl)methanol [German] [ACD/IUPAC Name]
(5-Amino-3-cyclobutyl-1-{cyclobutyl[2-fluoro-4-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-4-yl)methanol [ACD/IUPAC Name]
(5-Amino-3-cyclobutyl-1-{cyclobutyl[2-fluoro-4-(trifluorométhyl)phényl]méthyl}-1H-pyrazol-4-yl)méthanol [French] [ACD/IUPAC Name]
1H-Pyrazole-4-methanol, 5-amino-3-cyclobutyl-1-[cyclobutyl[2-fluoro-4-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 530.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 274.6±30.1 °C
Index of Refraction: 1.625
Molar Refractivity: 94.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 148.31
ACD/KOC (pH 5.5): 1239.98
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 151.09
ACD/KOC (pH 7.4): 1263.24
Polar Surface Area: 64 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 266.9±7.0 cm3

Click to predict properties on the Chemicalize site


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