ChemSpider 2D Image | Diethyl 4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate | C23H27N3O5

Diethyl 4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC23H27N3O5
  • Average mass425.478 Da
  • Monoisotopic mass425.195068 Da
  • ChemSpider ID28485094

More details:

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

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,6-dimethyl-, diethyl ester [ACD/Index Name]
4-[3-(4-Méthoxyphényl)-1H-pyrazol-4-yl]-2,6-diméthyl-1,4-dihydro-3,5-pyridinedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Diethyl-4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro-3,5-pyridindicarboxylat [German] [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: 605.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 319.7±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 114.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 733.06
ACD/KOC (pH 5.5): 3908.40
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 735.83
ACD/KOC (pH 7.4): 3923.14
Polar Surface Area: 103 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 354.3±3.0 cm3

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