ChemSpider 2D Image | Ethyl 6-{4-[(4-nitro-1H-pyrazol-3-yl)carbonyl]-1-piperazinyl}nicotinate | C16H18N6O5

Ethyl 6-{4-[(4-nitro-1H-pyrazol-3-yl)carbonyl]-1-piperazinyl}nicotinate

  • Molecular FormulaC16H18N6O5
  • Average mass374.351 Da
  • Monoisotopic mass374.133881 Da
  • ChemSpider ID30399410

More details:

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

3-Pyridinecarboxylic acid, 6-[4-[(4-nitro-1H-pyrazol-3-yl)carbonyl]-1-piperazinyl]-, ethyl ester [ACD/Index Name]
6-{4-[(4-Nitro-1H-pyrazol-3-yl)carbonyl]-1-pipérazinyl}nicotinate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-{4-[(4-nitro-1H-pyrazol-3-yl)carbonyl]-1-piperazinyl}nicotinate [ACD/IUPAC Name]
Ethyl-6-{4-[(4-nitro-1H-pyrazol-3-yl)carbonyl]-1-piperazinyl}nicotinat [German] [ACD/IUPAC Name]
ETHYL 6-[4-(4-NITRO-1H-PYRAZOLE-3-CARBONYL)PIPERAZIN-1-YL]PYRIDINE-3-CARBOXYLATE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 679.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.8±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 93.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.80
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.97
Polar Surface Area: 137 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 72.0±3.0 dyne/cm
Molar Volume: 260.8±3.0 cm3

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