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ChemSpider 2D Image | 3-Pyridinylmethyl 5-methyl-1H-pyrazole-3-carboxylate | C11H11N3O2

3-Pyridinylmethyl 5-methyl-1H-pyrazole-3-carboxylate

  • Molecular FormulaC11H11N3O2
  • Average mass217.224 Da
  • Monoisotopic mass217.085129 Da
  • ChemSpider ID35034238

More details:

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

1H-Pyrazole-3-carboxylic acid, 5-methyl-, 3-pyridinylmethyl ester [ACD/Index Name]
3-Pyridinylmethyl 5-methyl-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
3-Pyridinylmethyl-5-methyl-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
5-Méthyl-1H-pyrazole-3-carboxylate de 3-pyridinylméthyle [French] [ACD/IUPAC Name]
Pyridin-3-Ylmethyl 5-Methyl-1h-Pyrazole-3-Carboxylate
PZX

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

Density: 1.3±0.1 g/cm3
Boiling Point: 442.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 221.4±25.9 °C
Index of Refraction: 1.601
Molar Refractivity: 58.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.08
ACD/KOC (pH 5.5): 125.23
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.33
ACD/KOC (pH 7.4): 130.42
Polar Surface Area: 68 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 169.1±3.0 cm3

Click to predict properties on the Chemicalize site


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