ChemSpider 2D Image | Methyl 5-(tert-butyl)-1-(6-chloropyridin-2-yl)-1H-pyrazole-4-carboxylate | C14H16ClN3O2

Methyl 5-(tert-butyl)-1-(6-chloropyridin-2-yl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC14H16ClN3O2
  • Average mass293.749 Da
  • Monoisotopic mass293.093109 Da
  • ChemSpider ID28293785

More details:

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

1-(6-Chloro-2-pyridinyl)-5-(2-méthyl-2-propanyl)-1H-pyrazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
1150164-37-6 [RN]
1H-Pyrazole-4-carboxylic acid, 1-(6-chloro-2-pyridinyl)-5-(1,1-dimethylethyl)-, methyl ester [ACD/Index Name]
Methyl 1-(6-chloro-2-pyridinyl)-5-(2-methyl-2-propanyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Methyl 5-(tert-butyl)-1-(6-chloropyridin-2-yl)-1H-pyrazole-4-carboxylate
Methyl-1-(6-chlor-2-pyridinyl)-5-(2-methyl-2-propanyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
[1150164-37-6] [RN]
1-(6-chloro-2-pyridinyl)-5-(1,1-dimethylethyl)-1H-Pyrazole-4-carboxylic acid methyl ester
HC-2449
Methyl 5-tert-butyl-1-(6-chloropyridin-2-yl)-1H-pyrazole-4-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 428.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 212.7±28.7 °C
Index of Refraction: 1.581
Molar Refractivity: 78.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 334.73
ACD/KOC (pH 5.5): 2232.47
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 334.73
ACD/KOC (pH 7.4): 2232.47
Polar Surface Area: 57 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 236.2±7.0 cm3

Click to predict properties on the Chemicalize site


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