Cas no 81303-65-3 (4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid)

4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid is a versatile pyrazole-based carboxylic acid derivative with applications in pharmaceutical and agrochemical synthesis. Its structure features both an ethoxycarbonyl group and a carboxylic acid functionality, making it a valuable intermediate for further derivatization. The compound's reactivity allows for selective modifications, enabling the synthesis of heterocyclic compounds with potential biological activity. Its stability under standard conditions ensures ease of handling and storage. This intermediate is particularly useful in the development of active pharmaceutical ingredients (APIs) and specialty chemicals, where precise functional group manipulation is required. High purity and consistent quality make it suitable for research and industrial-scale applications.
4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid structure
81303-65-3 structure
Product Name:4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid
CAS No:81303-65-3
MF:C8H10N2O4
MW:198.176002025604
MDL:MFCD09473474
CID:827478
PubChem ID:25247567
Update Time:2025-06-07

4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid
    • 4-ethoxycarbonyl-2-methylpyrazole-3-carboxylic acid
    • 1-Methyl-1H-pyrazole-4,5-dicarboxylic acid 4-ethyl ester
    • 2-methyl-2H-pyrazole-3,4-dicarboxylic acid 4-ethyl ester
    • 4-Ethyl hydrogen 1-methyl-1H-pyrazole-4,5-dicarboxylate
    • 4-Ethyl 1-methyl-1H-pyrazole-4,5-dicarboxylate (ACI)
    • 81303-65-3
    • CHEBI:194775
    • SY083095
    • SCHEMBL1458454
    • STK351803
    • INIPCPYOESSJQP-UHFFFAOYSA-N
    • EN300-92748
    • DTXSID30649466
    • AKOS005167641
    • CS-0055092
    • 4-Ethoxycarbonyl-2-methyl-pyrazole-3-carboxylic acid
    • PS-19926
    • 4-Ethyl hydrogen 1-methyl-1h-pyrazole-4,5-dicarboxylate , 97%
    • Z1198220622
    • AT23549
    • 1-Methyl-1H-pyrazole-4,5-dicarboxylic acid 4-ethyl ester;4-ethoxycarbonyl-2-methylpyrazole-3-carboxylic acid
    • 2-methyl-2H-pyrazole-3,4-dicarboxylic acid-4-ethyl ester
    • 4-(ethoxycarbonyl)-2-methylpyrazole-3-carboxylic acid
    • 4-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylicacid
    • MFCD09473474
    • 4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid
    • MDL： MFCD09473474
    • Inchi： 1S/C8H10N2O4/c1-3-14-8(13)5-4-9-10(2)6(5)7(11)12/h4H,3H2,1-2H3,(H,11,12)
    • InChI Key： INIPCPYOESSJQP-UHFFFAOYSA-N
    • SMILES： O=C(C1N(C)N=CC=1C(OCC)=O)O

Computed Properties

  • Exact Mass: 198.06400
  • Monoisotopic Mass: 198.06405680g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 244
  • 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

Experimental Properties

  • Density: 1.36±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (4.4 g/l) (25 o C),
  • PSA: 81.42000
  • LogP: 0.29500

4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid Security Information

4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid Customs Data

  • HS CODE：2933199090
  • Customs Data：

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid Pricemore >>

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