ChemSpider 2D Image | 5-amino-1-methyl-3-(5-methylisoxazol-3-yl)-1H-pyrazole-4-carbonitrile | C9H9N5O

5-amino-1-methyl-3-(5-methylisoxazol-3-yl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC9H9N5O
  • Average mass203.201 Da
  • Monoisotopic mass203.080704 Da
  • ChemSpider ID24598076

More details:

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

1260740-36-0 [RN]
1H-Pyrazole-4-carbonitrile, 5-amino-1-methyl-3-(5-methyl-3-isoxazolyl)- [ACD/Index Name]
5-Amino-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Amino-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
5-Amino-1-méthyl-3-(5-méthyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
5-amino-1-methyl-3-(5-methylisoxazol-3-yl)-1H-pyrazole-4-carbonitrile
MFCD11109923

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

Density: 1.5±0.1 g/cm3
Boiling Point: 496.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 254.1±28.7 °C
Index of Refraction: 1.702
Molar Refractivity: 53.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.95
ACD/KOC (pH 5.5): 56.06
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.95
ACD/KOC (pH 7.4): 56.06
Polar Surface Area: 94 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 139.0±7.0 cm3

Click to predict properties on the Chemicalize site


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