ChemSpider 2D Image | 2-(4-Benzyl-1-piperidinyl)-2-oxoethyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate | C31H31N3O4

2-(4-Benzyl-1-piperidinyl)-2-oxoethyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC31H31N3O4
  • Average mass509.595 Da
  • Monoisotopic mass509.231445 Da
  • ChemSpider ID3247956

More details:

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

1H-Pyrazole-4-carboxylic acid, 3-(4-methoxyphenyl)-1-phenyl-, 2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl ester [ACD/Index Name]
2-(4-Benzyl-1-piperidinyl)-2-oxoethyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
2-(4-Benzyl-1-piperidinyl)-2-oxoethyl-3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
3-(4-Méthoxyphényl)-1-phényl-1H-pyrazole-4-carboxylate de 2-(4-benzyl-1-pipéridinyl)-2-oxoéthyle [French] [ACD/IUPAC 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: 722.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 390.9±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 147.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 14065.46
ACD/KOC (pH 5.5): 32421.72
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 14065.46
ACD/KOC (pH 7.4): 32421.72
Polar Surface Area: 74 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 421.3±7.0 cm3

Click to predict properties on the Chemicalize site


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