ChemSpider 2D Image | Ethyl 4-{[4-(2-fluoro-4-methoxybenzyl)-3-(2-hydroxyethyl)-1-piperazinyl]methyl}-1H-pyrazole-3-carboxylate | C21H29FN4O4

Ethyl 4-{[4-(2-fluoro-4-methoxybenzyl)-3-(2-hydroxyethyl)-1-piperazinyl]methyl}-1H-pyrazole-3-carboxylate

  • Molecular FormulaC21H29FN4O4
  • Average mass420.478 Da
  • Monoisotopic mass420.217285 Da
  • ChemSpider ID23066340

More details:

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

1H-Pyrazole-3-carboxylic acid, 4-[[4-[(2-fluoro-4-methoxyphenyl)methyl]-3-(2-hydroxyethyl)-1-piperazinyl]methyl]-, ethyl ester [ACD/Index Name]
4-{[4-(2-Fluoro-4-méthoxybenzyl)-3-(2-hydroxyéthyl)-1-pipérazinyl]méthyl}-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[4-(2-fluoro-4-methoxybenzyl)-3-(2-hydroxyethyl)-1-piperazinyl]methyl}-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-4-{[4-(2-fluor-4-methoxybenzyl)-3-(2-hydroxyethyl)-1-piperazinyl]methyl}-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
ETHYL 4-({4-[(2-FLUORO-4-METHOXYPHENYL)METHYL]-3-(2-HYDROXYETHYL)PIPERAZIN-1-YL}METHYL)-1H-PYRAZOLE-3-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 308.1±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.63
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.54
ACD/KOC (pH 7.4): 100.04
Polar Surface Area: 91 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 334.4±3.0 cm3

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