ChemSpider 2D Image | 5-Iodo-3-methyl-1-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)-1H-pyrazole-4-carboxylic acid | C15H22IN3O4

5-Iodo-3-methyl-1-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC15H22IN3O4
  • Average mass435.257 Da
  • Monoisotopic mass435.065491 Da
  • ChemSpider ID122529852

More details:

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

1-Piperidinecarboxylic acid, 4-(4-carboxy-5-iodo-3-methyl-1H-pyrazol-1-yl)-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
5-Iod-3-methyl-1-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-Iodo-3-methyl-1-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-iodo-3-méthyl-1-(1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4-pipéridinyl)-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 518.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 267.2±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 93.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.96
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.06
Polar Surface Area: 85 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 261.2±7.0 cm3

Click to predict properties on the Chemicalize site


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