ChemSpider 2D Image | 2-{1-[(1-Methyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidinyl}-6-[4-(trifluoromethyl)benzyl]pyridine | C22H23F3N4

2-{1-[(1-Methyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidinyl}-6-[4-(trifluoromethyl)benzyl]pyridine

  • Molecular FormulaC22H23F3N4
  • Average mass400.440 Da
  • Monoisotopic mass400.187469 Da
  • ChemSpider ID29930196

More details:

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

2-{1-[(1-Methyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidinyl}-6-[4-(trifluormethyl)benzyl]pyridin [German] [ACD/IUPAC Name]
2-{1-[(1-Methyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidinyl}-6-[4-(trifluoromethyl)benzyl]pyridine [ACD/IUPAC Name]
2-{1-[(1-Méthyl-1H-pyrazol-4-yl)méthyl]-2-pyrrolidinyl}-6-[4-(trifluorométhyl)benzyl]pyridine [French] [ACD/IUPAC Name]
Pyridine, 2-[1-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidinyl]-6-[[4-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
2-{1-[(1-METHYL-1H-PYRAZOL-4-YL)METHYL]PYRROLIDIN-2-YL}-6-{[4-(TRIFLUOROMETHYL)PHENYL]METHYL}PYRIDINE
2-{1-[(1-METHYLPYRAZOL-4-YL)METHYL]PYRROLIDIN-2-YL}-6-{[4-(TRIFLUOROMETHYL)PHENYL]METHYL}PYRIDINE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 487.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.5±28.7 °C
Index of Refraction: 1.596
Molar Refractivity: 107.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.85
ACD/KOC (pH 5.5): 13.28
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 87.17
ACD/KOC (pH 7.4): 627.04
Polar Surface Area: 34 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 40.8±7.0 dyne/cm
Molar Volume: 316.7±7.0 cm3

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