ChemSpider 2D Image | 5-Methyl-4-(4H-1,2,4-triazol-4-yl)-1H-pyrazole-3-carboxylic acid | C7H7N5O2

5-Methyl-4-(4H-1,2,4-triazol-4-yl)-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC7H7N5O2
  • Average mass193.163 Da
  • Monoisotopic mass193.059967 Da
  • ChemSpider ID21330098

More details:

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

1H-Pyrazole-3-carboxylic acid, 5-methyl-4-(4H-1,2,4-triazol-4-yl)- [ACD/Index Name]
5-Methyl-4-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-Methyl-4-(4H-1,2,4-triazol-4-yl)-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-méthyl-4-(4H-1,2,4-triazol-4-yl)-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
[1239975-51-9] [RN]
1239975-51-9 [RN]
5-methyl-4-(1,2,4-triazol-4-yl)-1H-pyrazole-3-carboxylic acid
MFCD09972025 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 564.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 295.3±32.9 °C
Index of Refraction: 1.793
Molar Refractivity: 47.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -2.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 78.4±7.0 dyne/cm
Molar Volume: 111.6±7.0 cm3

Click to predict properties on the Chemicalize site


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