Cas no 33090-52-7 (4,5-dimethyl 1-methyl-1H-pyrazole-4,5-dicarboxylate)

4,5-Dimethyl 1-methyl-1H-pyrazole-4,5-dicarboxylate is a versatile pyrazole-based dicarboxylate ester with applications in organic synthesis and pharmaceutical intermediates. Its structured pyrazole core, combined with ester functionalities, offers reactivity for further derivatization, making it valuable in heterocyclic chemistry. The dimethyl substitution enhances steric and electronic properties, influencing selectivity in coupling and condensation reactions. The compound’s stability under standard conditions ensures ease of handling and storage. It serves as a precursor for synthesizing complex molecules, particularly in medicinal chemistry, where pyrazole derivatives are explored for bioactive properties. Its well-defined structure and purity make it suitable for research and industrial-scale applications requiring precise molecular frameworks.
4,5-dimethyl 1-methyl-1H-pyrazole-4,5-dicarboxylate structure
33090-52-7 structure
Product Name:4,5-dimethyl 1-methyl-1H-pyrazole-4,5-dicarboxylate
CAS No:33090-52-7
MF:C8H10N2O4
MW:198.176002025604
MDL:MFCD12548038
CID:2108609
PubChem ID:45923686
Update Time:2025-11-02

4,5-dimethyl 1-methyl-1H-pyrazole-4,5-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • dimethyl 1-methyl-1H-pyrazole-4,5-dicarboxylate
    • 2-methyl-2H-pyrazole-3,4-dicarboxylic acid dimethyl ester
    • 4,5-dimethyl 1-methyl-1H-pyrazole-4,5-dicarboxylate
    • AKOS005168946
    • dimethyl 2-methylpyrazole-3,4-dicarboxylate
    • CS-0300514
    • DTXSID101224476
    • EN300-232291
    • STL414709
    • 33090-52-7
    • dimethyl1-methyl-1H-pyrazole-4,5-dicarboxylate
    • DA-06819
    • 3,4-DIMETHYL 2-METHYLPYRAZOLE-3,4-DICARBOXYLATE
    • MDL： MFCD12548038
    • Inchi： 1S/C8H10N2O4/c1-10-6(8(12)14-3)5(4-9-10)7(11)13-2/h4H,1-3H3
    • InChI Key： SXKDBAWCUBNEAD-UHFFFAOYSA-N
    • SMILES： O(C)C(C1=C(C(=O)OC)C=NN1C)=O

Computed Properties

  • Exact Mass: 198.06405680Da
  • Monoisotopic Mass: 198.06405680Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • 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: 70.4?2

4,5-dimethyl 1-methyl-1H-pyrazole-4,5-dicarboxylate Pricemore >>

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Enamine
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