ChemSpider 2D Image | 1-[3,5-Dimethyl-2-(1H-pyrazol-1-yl)phenyl]-N-[(1-ethyl-2-pyrrolidinyl)methyl]-N-(3-pyridinylmethyl)methanamine | C25H33N5

1-[3,5-Dimethyl-2-(1H-pyrazol-1-yl)phenyl]-N-[(1-ethyl-2-pyrrolidinyl)methyl]-N-(3-pyridinylmethyl)methanamine

  • Molecular FormulaC25H33N5
  • Average mass403.563 Da
  • Monoisotopic mass403.273590 Da
  • ChemSpider ID22505350

More details:

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

1-[3,5-Dimethyl-2-(1H-pyrazol-1-yl)phenyl]-N-[(1-ethyl-2-pyrrolidinyl)methyl]-N-(3-pyridinylmethyl)methanamin [German] [ACD/IUPAC Name]
1-[3,5-Dimethyl-2-(1H-pyrazol-1-yl)phenyl]-N-[(1-ethyl-2-pyrrolidinyl)methyl]-N-(3-pyridinylmethyl)methanamine [ACD/IUPAC Name]
1-[3,5-Diméthyl-2-(1H-pyrazol-1-yl)phényl]-N-[(1-éthyl-2-pyrrolidinyl)méthyl]-N-(3-pyridinylméthyl)méthanamine [French] [ACD/IUPAC Name]
3-Pyridinemethanamine, N-[[3,5-dimethyl-2-(1H-pyrazol-1-yl)phenyl]methyl]-N-[(1-ethyl-2-pyrrolidinyl)methyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 533.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.6±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 125.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.38
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 2.02
ACD/KOC (pH 7.4): 10.79
Polar Surface Area: 37 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 359.9±7.0 cm3

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