ChemSpider 2D Image | 3-{[4-(Ethoxycarbonyl)-1H-pyrazol-5-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid | C12H13N5O5

3-{[4-(Ethoxycarbonyl)-1H-pyrazol-5-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC12H13N5O5
  • Average mass307.262 Da
  • Monoisotopic mass307.091675 Da
  • ChemSpider ID21761736

More details:

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

1H-Pyrazole-4-carboxylic acid, 3-[[[4-(ethoxycarbonyl)-1H-pyrazol-5-yl]amino]carbonyl]-1-methyl- [ACD/Index Name]
3-{[4-(Ethoxycarbonyl)-1H-pyrazol-5-yl]carbamoyl}-1-methyl-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
3-{[4-(Ethoxycarbonyl)-1H-pyrazol-5-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 3-{[4-(éthoxycarbonyl)-1H-pyrazol-5-yl]carbamoyl}-1-méthyl-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
3-({[4-(ethoxycarbonyl)-1H-pyrazol-5-yl]amino}carbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid
3-(4-Ethoxycarbonyl-2H-pyrazol-3-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
3-{[4-(ETHOXYCARBONYL)-2H-PYRAZOL-3-YL]CARBAMOYL}-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID
3-{N-[4-(ethoxycarbonyl)pyrazol-5-yl]carbamoyl}-1-methylpyrazole-4-carboxylic cid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 528.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 273.5±30.1 °C
Index of Refraction: 1.688
Molar Refractivity: 73.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 65.9±7.0 dyne/cm
Molar Volume: 192.3±7.0 cm3

Click to predict properties on the Chemicalize site


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