ChemSpider 2D Image | 1-{[3-(4-Fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(1H-pyrazol-1-ylmethyl)piperidine | C19H22FN5

1-{[3-(4-Fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(1H-pyrazol-1-ylmethyl)piperidine

  • Molecular FormulaC19H22FN5
  • Average mass339.410 Da
  • Monoisotopic mass339.185913 Da
  • ChemSpider ID32073102

More details:

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

1-{[3-(4-Fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(1H-pyrazol-1-ylmethyl)piperidine [ACD/IUPAC Name]
1-{[3-(4-Fluorophényl)-1H-pyrazol-4-yl]méthyl}-4-(1H-pyrazol-1-ylméthyl)pipéridine [French] [ACD/IUPAC Name]
1-{[3-(4-Fluorphenyl)-1H-pyrazol-4-yl]methyl}-4-(1H-pyrazol-1-ylmethyl)piperidin [German] [ACD/IUPAC Name]
Piperidine, 1-[[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(1H-pyrazol-1-ylmethyl)- [ACD/Index Name]
1-{[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]METHYL}-4-(PYRAZOL-1-YLMETHYL)PIPERIDINE
1-{[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]METHYL}-4-[(1H-PYRAZOL-1-YL)METHYL]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: 540.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.4±28.7 °C
Index of Refraction: 1.658
Molar Refractivity: 96.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.65
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 17.31
ACD/KOC (pH 7.4): 183.09
Polar Surface Area: 50 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 263.0±7.0 cm3

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