ChemSpider 2D Image | 3-Cyclohexyl-1-(tetrahydro-2H-thiopyran-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine | C21H26F3N3S

3-Cyclohexyl-1-(tetrahydro-2H-thiopyran-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine

  • Molecular FormulaC21H26F3N3S
  • Average mass409.511 Da
  • Monoisotopic mass409.179962 Da
  • ChemSpider ID122797304

More details:

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

1H-Pyrazol-5-amine, 3-cyclohexyl-1-(tetrahydro-2H-thiopyran-4-yl)-4-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
3-Cyclohexyl-1-(tetrahydro-2H-thiopyran-4-yl)-4-[3-(trifluormethyl)phenyl]-1H-pyrazol-5-amin [German] [ACD/IUPAC Name]
3-Cyclohexyl-1-(tetrahydro-2H-thiopyran-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine [ACD/IUPAC Name]
3-Cyclohexyl-1-(tétrahydro-2H-thiopyrane-4-yl)-4-[3-(trifluorométhyl)phényl]-1H-pyrazol-5-amine [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: 541.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.1±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 106.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11871.17
ACD/KOC (pH 5.5): 28635.57
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 11986.16
ACD/KOC (pH 7.4): 28912.96
Polar Surface Area: 69 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 297.3±7.0 cm3

Click to predict properties on the Chemicalize site


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