ChemSpider 2D Image | 4-(4H-1,2,4-Triazol-4-yl)-1H-pyrazole-3-carboxylic acid | C6H5N5O2

4-(4H-1,2,4-Triazol-4-yl)-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC6H5N5O2
  • Average mass179.136 Da
  • Monoisotopic mass179.044327 Da
  • ChemSpider ID21330097

More details:






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

1H-Pyrazole-3-carboxylic acid, 4-(4H-1,2,4-triazol-4-yl)- [ACD/Index Name]
4-(4H-1,2,4-Triazol-4-yl)-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
4-(4H-1,2,4-Triazol-4-yl)-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 4-(4H-1,2,4-triazol-4-yl)-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
1177297-30-1 [RN]
4-(1,2,4-triazol-4-yl)-1H-pyrazole-5-carboxylic acid
MFCD09972024 [MDL number]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 593.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 312.8±32.9 °C
Index of Refraction: 1.848
Molar Refractivity: 43.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.10
ACD/LogD (pH 5.5): -2.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 95.2±7.0 dyne/cm
Molar Volume: 96.3±7.0 cm3

Click to predict properties on the Chemicalize site






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