ChemSpider 2D Image | 2-[(1,5-Dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline | C23H23FN4

2-[(1,5-Dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-β-carboline

  • Molecular FormulaC23H23FN4
  • Average mass374.454 Da
  • Monoisotopic mass374.190674 Da
  • ChemSpider ID22241513

More details:

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

1H-Pyrido[3,4-b]indole, 2-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2,3,4,9-tetrahydro- [ACD/Index Name]
2-[(1,5-Dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-β-carboline [ACD/IUPAC Name]
2-[(1,5-Diméthyl-1H-pyrazol-4-yl)méthyl]-1-(4-fluorophényl)-2,3,4,9-tétrahydro-1H-β-carboline [French] [ACD/IUPAC Name]
2-[(1,5-Dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-fluorphenyl)-2,3,4,9-tetrahydro-1H-β-carbolin [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 537.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.0±30.1 °C
Index of Refraction: 1.671
Molar Refractivity: 109.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 11.17
ACD/KOC (pH 5.5): 59.92
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 391.14
ACD/KOC (pH 7.4): 2098.36
Polar Surface Area: 37 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 292.3±7.0 cm3

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