ChemSpider 2D Image | 5-amino-1-(4-methoxybenzoyl)-3-methylpyrazole | C12H13N3O2

5-amino-1-(4-methoxybenzoyl)-3-methylpyrazole

  • Molecular FormulaC12H13N3O2
  • Average mass231.251 Da
  • Monoisotopic mass231.100784 Da
  • ChemSpider ID21119373

More details:

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

(5-Amino-3-methyl-1H-pyrazol-1-yl)(4-methoxyphenyl)methanon [German] [ACD/IUPAC Name]
(5-Amino-3-methyl-1H-pyrazol-1-yl)(4-methoxyphenyl)methanone [ACD/IUPAC Name]
(5-Amino-3-méthyl-1H-pyrazol-1-yl)(4-méthoxyphényl)méthanone [French] [ACD/IUPAC Name]
5-amino-1-(4-methoxybenzoyl)-3-methylpyrazole
Methanone, (5-amino-3-methyl-1H-pyrazol-1-yl)(4-methoxyphenyl)- [ACD/Index Name]
1072097-04-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 458.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 230.9±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 63.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.39
ACD/KOC (pH 5.5): 116.22
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.39
ACD/KOC (pH 7.4): 116.22
Polar Surface Area: 70 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 183.1±7.0 cm3

Click to predict properties on the Chemicalize site


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