ChemSpider 2D Image | 2-(4-Benzyl-1-piperidinyl)-1-[3-(4-fluorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone | C28H31FN4O

2-(4-Benzyl-1-piperidinyl)-1-[3-(4-fluorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone

  • Molecular FormulaC28H31FN4O
  • Average mass458.570 Da
  • Monoisotopic mass458.248199 Da
  • ChemSpider ID22697756

More details:

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

2-(4-Benzyl-1-piperidinyl)-1-[3-(4-fluorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone [ACD/IUPAC Name]
2-(4-Benzyl-1-pipéridinyl)-1-[3-(4-fluorophényl)-5-(1-méthyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]éthanone [French] [ACD/IUPAC Name]
2-(4-Benzyl-1-piperidinyl)-1-[3-(4-fluorphenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[3-(4-fluorophenyl)-4,5-dihydro-5-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazol-1-yl]-2-[4-(phenylmethyl)-1-piperidinyl]- [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: 592.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.3±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 134.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 12.94
ACD/KOC (pH 5.5): 58.72
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 550.83
ACD/KOC (pH 7.4): 2499.69
Polar Surface Area: 41 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 376.7±7.0 cm3

Click to predict properties on the Chemicalize site


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