ChemSpider 2D Image | 4-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-1-[(5-fluoro-2-methoxyphenyl)sulfonyl]piperidine | C18H24FN3O3S

4-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-1-[(5-fluoro-2-methoxyphenyl)sulfonyl]piperidine

  • Molecular FormulaC18H24FN3O3S
  • Average mass381.465 Da
  • Monoisotopic mass381.152252 Da
  • ChemSpider ID30684174

More details:

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

4-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-1-[(5-fluor-2-methoxyphenyl)sulfonyl]piperidin [German] [ACD/IUPAC Name]
4-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-1-[(5-fluoro-2-methoxyphenyl)sulfonyl]piperidine [ACD/IUPAC Name]
4-[(3,5-Diméthyl-1H-pyrazol-1-yl)méthyl]-1-[(5-fluoro-2-méthoxyphényl)sulfonyl]pipéridine [French] [ACD/IUPAC Name]
Piperidine, 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1-[(5-fluoro-2-methoxyphenyl)sulfonyl]- [ACD/Index Name]
1396844-71-5 [RN]
4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-1-((5-fluoro-2-methoxyphenyl)sulfonyl)piperidine
4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1-(5-fluoro-2-methoxybenzenesulfonyl)piperidine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 539.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 279.8±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 99.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 145.40
ACD/KOC (pH 5.5): 1227.19
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 146.17
ACD/KOC (pH 7.4): 1233.69
Polar Surface Area: 73 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 290.1±7.0 cm3

Click to predict properties on the Chemicalize site


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