Cas no 1002185-78-5 (5-Ethyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid)

5-Ethyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid structure
1002185-78-5 structure
Product Name:5-Ethyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid
CAS No:1002185-78-5
MF:C13H14N2O2
MW:230.262463092804
MDL:MFCD09971486
CID:2094802
PubChem ID:8078880
Update Time:2023-08-03

5-Ethyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-ethyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid
    • NE60568
    • 5-Ethyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid, AldrichCPR
    • 5-Ethyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid
    • MDL: MFCD09971486
    • Inchi: 1S/C13H14N2O2/c1-3-12-11(13(16)17)8-14-15(12)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,16,17)
    • InChI Key: KQONHMSVIICDKY-UHFFFAOYSA-N
    • SMILES: OC(C1C=NN(C2C=CC(C)=CC=2)C=1CC)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 275
  • XLogP3: 2.6
  • Topological Polar Surface Area: 55.1

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 390.0±30.0 °C at 760 mmHg
  • Flash Point: 189.7±24.6 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

5-Ethyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid Security Information

5-Ethyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid Pricemore >>

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TRC
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