ChemSpider 2D Image | 1-[1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-4-yl]-N-{[6-(1-pyrrolidinyl)-3-pyridinyl]methyl}methanamine | C27H28FN5

1-[1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-4-yl]-N-{[6-(1-pyrrolidinyl)-3-pyridinyl]methyl}methanamine

  • Molecular FormulaC27H28FN5
  • Average mass441.543 Da
  • Monoisotopic mass441.232880 Da
  • ChemSpider ID78277685

More details:

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

1-[1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-4-yl]-N-{[6-(1-pyrrolidinyl)-3-pyridinyl]methyl}methanamine [ACD/IUPAC Name]
1-[1-(4-Fluorophényl)-3-(4-méthylphényl)-1H-pyrazol-4-yl]-N-{[6-(1-pyrrolidinyl)-3-pyridinyl]méthyl}méthanamine [French] [ACD/IUPAC Name]
1-[1-(4-Fluorphenyl)-3-(4-methylphenyl)-1H-pyrazol-4-yl]-N-{[6-(1-pyrrolidinyl)-3-pyridinyl]methyl}methanamin [German] [ACD/IUPAC Name]
3-Pyridinemethanamine, N-[[1-(4-fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-6-(1-pyrrolidinyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 637.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 339.2±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 131.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 64.28
ACD/KOC (pH 5.5): 259.13
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1490.95
ACD/KOC (pH 7.4): 6010.88
Polar Surface Area: 46 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 362.0±7.0 cm3

Click to predict properties on the Chemicalize site


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