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

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

  • Molecular FormulaC12H13N5O5
  • Average mass307.262 Da
  • Monoisotopic mass307.091675 Da
  • ChemSpider ID21761747

More details:

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

1H-Pyrazole-3-carboxylic acid, 4-[[(4-carboxy-1-methyl-1H-pyrazol-3-yl)carbonyl]amino]-1-methyl-, 3-methyl ester [ACD/Index Name]
3-{[3-(Methoxycarbonyl)-1-methyl-1H-pyrazol-4-yl]carbamoyl}-1-methyl-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
3-{[3-(Methoxycarbonyl)-1-methyl-1H-pyrazol-4-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 3-{[3-(méthoxycarbonyl)-1-méthyl-1H-pyrazol-4-yl]carbamoyl}-1-méthyl-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
3-({[3-(methoxycarbonyl)-1-methyl-1H-pyrazol-4-yl]amino}carbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid
3-{[3-(METHOXYCARBONYL)-1-METHYLPYRAZOL-4-YL]CARBAMOYL}-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID
3-{N-[3-(methoxycarbonyl)-1-methylpyrazol-4-yl]carbamoyl}-1-methylpyrazole-4-carboxylic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 485.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 247.2±28.7 °C
Index of Refraction: 1.673
Molar Refractivity: 74.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.80
ACD/LogD (pH 5.5): -1.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 197.5±7.0 cm3

Click to predict properties on the Chemicalize site


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