ChemSpider 2D Image | 4-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperidine | C18H22F3N3O3S

4-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperidine

  • Molecular FormulaC18H22F3N3O3S
  • Average mass417.446 Da
  • Monoisotopic mass417.133392 Da
  • ChemSpider ID30684171

More details:

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

4-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-1-{[4-(trifluormethoxy)phenyl]sulfonyl}piperidin [German] [ACD/IUPAC Name]
4-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperidine [ACD/IUPAC Name]
4-[(3,5-Diméthyl-1H-pyrazol-1-yl)méthyl]-1-{[4-(trifluorométhoxy)phényl]sulfonyl}pipéridine [French] [ACD/IUPAC Name]
Piperidine, 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1-[[4-(trifluoromethoxy)phenyl]sulfonyl]- [ACD/Index Name]
1396866-15-1 [RN]
4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-1-((4-(trifluoromethoxy)phenyl)sulfonyl)piperidine
4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1-[4-(trifluoromethoxy)benzenesulfonyl]piperidine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 492.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.4±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 99.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 600.63
ACD/KOC (pH 5.5): 3387.43
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 603.81
ACD/KOC (pH 7.4): 3405.36
Polar Surface Area: 73 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 302.1±7.0 cm3

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