ChemSpider 2D Image | {4-[(4-Chloro-3-methyl-1H-pyrazol-5-yl)carbonyl]-2-oxo-1-piperazinyl}acetic acid | C11H13ClN4O4

{4-[(4-Chloro-3-methyl-1H-pyrazol-5-yl)carbonyl]-2-oxo-1-piperazinyl}acetic acid

  • Molecular FormulaC11H13ClN4O4
  • Average mass300.698 Da
  • Monoisotopic mass300.062531 Da
  • ChemSpider ID57633843

More details:

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

{4-[(4-Chlor-3-methyl-1H-pyrazol-5-yl)carbonyl]-2-oxo-1-piperazinyl}essigsäure [German] [ACD/IUPAC Name]
{4-[(4-Chloro-3-methyl-1H-pyrazol-5-yl)carbonyl]-2-oxo-1-piperazinyl}acetic acid [ACD/IUPAC Name]
1-Piperazineacetic acid, 4-[(4-chloro-3-methyl-1H-pyrazol-5-yl)carbonyl]-2-oxo- [ACD/Index Name]
Acide {4-[(4-chloro-3-méthyl-1H-pyrazol-5-yl)carbonyl]-2-oxo-1-pipérazinyl}acétique [French] [ACD/IUPAC Name]
[4-(4-CHLORO-5-METHYL-2H-PYRAZOLE-3-CARBONYL)-2-OXOPIPERAZIN-1-YL]ACETIC ACID
{4-[(4-chloro-3-methyl-1H-pyrazol-5-yl)carbonyl]-2-oxopiperazin-1-yl}acetic acid
2-[4-(4-CHLORO-3-METHYL-1H-PYRAZOLE-5-CARBONYL)-2-OXOPIPERAZIN-1-YL]ACETIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 692.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 372.8±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 68.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.84
ACD/LogD (pH 5.5): -2.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 75.5±3.0 dyne/cm
Molar Volume: 194.1±3.0 cm3

Click to predict properties on the Chemicalize site


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