ChemSpider 2D Image | 3-(4-{[4-Chloro-1-(2-hydroxyethyl)-5-(4-nitrophenyl)-1H-pyrazol-3-yl]carbonyl}-1-piperazinyl)-6-methyl-1,2,4-triazin-5(4H)-one | C20H21ClN8O5

3-(4-{[4-Chloro-1-(2-hydroxyethyl)-5-(4-nitrophenyl)-1H-pyrazol-3-yl]carbonyl}-1-piperazinyl)-6-methyl-1,2,4-triazin-5(4H)-one

  • Molecular FormulaC20H21ClN8O5
  • Average mass488.884 Da
  • Monoisotopic mass488.132355 Da
  • ChemSpider ID67051991

More details:

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

1,2,4-Triazin-5(4H)-one, 3-[4-[[4-chloro-1-(2-hydroxyethyl)-5-(4-nitrophenyl)-1H-pyrazol-3-yl]carbonyl]-1-piperazinyl]-6-methyl- [ACD/Index Name]
3-(4-{[4-Chlor-1-(2-hydroxyethyl)-5-(4-nitrophenyl)-1H-pyrazol-3-yl]carbonyl}-1-piperazinyl)-6-methyl-1,2,4-triazin-5(4H)-on [German] [ACD/IUPAC Name]
3-(4-{[4-Chloro-1-(2-hydroxyethyl)-5-(4-nitrophenyl)-1H-pyrazol-3-yl]carbonyl}-1-piperazinyl)-6-methyl-1,2,4-triazin-5(4H)-one [ACD/IUPAC Name]
3-(4-{[4-Chloro-1-(2-hydroxyéthyl)-5-(4-nitrophényl)-1H-pyrazol-3-yl]carbonyl}-1-pipérazinyl)-6-méthyl-1,2,4-triazin-5(4H)-one [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.752
Molar Refractivity: 121.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.38
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.33
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.09
Polar Surface Area: 161 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 74.5±7.0 dyne/cm
Molar Volume: 297.0±7.0 cm3

Click to predict properties on the Chemicalize site


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