Cas no 21272-38-8 (4-(ethoxycarbonyl)-1-methyl-1H-pyrazole-3-carboxylic acid)

4-(ethoxycarbonyl)-1-methyl-1H-pyrazole-3-carboxylic acid structure
21272-38-8 structure
Product Name:4-(ethoxycarbonyl)-1-methyl-1H-pyrazole-3-carboxylic acid
CAS No:21272-38-8
MF:C8H10N2O4
MW:198.176002025604
MDL:MFCD09473346
CID:2857580
PubChem ID:15679494
Update Time:2025-04-21

4-(ethoxycarbonyl)-1-methyl-1H-pyrazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(ethoxycarbonyl)-1-methyl-1H-pyrazole-3-carboxylic acid
    • 4-(ethoxycarbonyl)-1-methylpyrazole-3-carboxylic acid
    • AKOS005167723
    • AT34665
    • SCHEMBL9460326
    • CS-0256737
    • MFCD09473346
    • EN300-651336
    • 4-ethoxycarbonyl-1-methylpyrazole-3-carboxylic acid
    • 4-(ethoxycarbonyl)-1-methyl-1H-pyrazole-3-carboxylicacid
    • 21272-38-8
    • STK351746
    • 4-Ethoxycarbonyl-1-methyl-pyrazole-3-carboxylic acid
    • WAA27238
    • MDL: MFCD09473346
    • Inchi: 1S/C8H10N2O4/c1-3-14-8(13)5-4-10(2)9-6(5)7(11)12/h4H,3H2,1-2H3,(H,11,12)
    • InChI Key: UALULUXSZIIEKY-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C(C(=O)O)=NN(C)C=1)=O

Computed Properties

  • Exact Mass: 198.06405680Da
  • Monoisotopic Mass: 198.06405680Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 243
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 81.4?2

4-(ethoxycarbonyl)-1-methyl-1H-pyrazole-3-carboxylic acid Pricemore >>

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21272-38-8 97%
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Enamine
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