Cas no 1239473-55-2 (3-(Methoxymethyl)-5-methyl-1H-pyrazole-4-carboxylic acid)

3-(Methoxymethyl)-5-methyl-1H-pyrazole-4-carboxylic acid is a versatile pyrazole derivative with applications in pharmaceutical and agrochemical research. Its structural features, including the methoxymethyl and carboxylic acid functional groups, make it a valuable intermediate for synthesizing biologically active compounds. The pyrazole core is known for its stability and ability to participate in diverse chemical reactions, facilitating further derivatization. This compound exhibits potential as a building block for drug discovery, particularly in the development of enzyme inhibitors or receptor modulators. Its well-defined purity and consistent performance ensure reliability in synthetic workflows. Researchers value this intermediate for its balanced reactivity and compatibility with standard coupling and condensation reactions.
3-(Methoxymethyl)-5-methyl-1H-pyrazole-4-carboxylic acid structure
1239473-55-2 structure
Product Name:3-(Methoxymethyl)-5-methyl-1H-pyrazole-4-carboxylic acid
CAS No:1239473-55-2
MF:C7H10N2O3
MW:170.165901660919
CID:1084590
PubChem ID:28466648
Update Time:2025-11-02

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

Names and Identifiers

    • 3-(Methoxymethyl)-5-methyl-1H-pyrazole-4-carboxylic acid
    • 5-(Methoxymethyl)-3-methyl-1H-pyrazole-4-carboxylic acid
    • SCHEMBL12464576
    • MFCD06823687
    • AKOS006341680
    • CS-0442859
    • 5-(methoxymethyl)-3-methyl-1H-pyrazole-4-carboxylicacid
    • 1239473-55-2
    • Inchi: 1S/C7H10N2O3/c1-4-6(7(10)11)5(3-12-2)9-8-4/h3H2,1-2H3,(H,8,9)(H,10,11)
    • InChI Key: OOHDXRXRRBSSJL-UHFFFAOYSA-N
    • SMILES: O(C)CC1C(C(=O)O)=C(C)NN=1

Computed Properties

  • Exact Mass: 170.06914219g/mol
  • Monoisotopic Mass: 170.06914219g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 174
  • 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: -0.2
  • Topological Polar Surface Area: 75.2?2

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Additional information on 3-(Methoxymethyl)-5-methyl-1H-pyrazole-4-carboxylic acid

Comprehensive Overview of 3-(Methoxymethyl)-5-methyl-1H-pyrazole-4-carboxylic acid (CAS No. 1239473-55-2)

3-(Methoxymethyl)-5-methyl-1H-pyrazole-4-carboxylic acid (CAS No. 1239473-55-2) is a specialized organic compound belonging to the pyrazole family, which has garnered significant attention in pharmaceutical and agrochemical research. The compound's unique structural features, including a methoxymethyl group and a carboxylic acid moiety, make it a versatile intermediate for synthesizing bioactive molecules. Researchers are increasingly exploring its potential in drug discovery, particularly in targeting inflammatory pathways and metabolic disorders, aligning with the growing demand for novel therapeutic agents.

The rise of AI-driven drug discovery and green chemistry has further amplified interest in compounds like 3-(Methoxymethyl)-5-methyl-1H-pyrazole-4-carboxylic acid. Its compatibility with sustainable synthesis methods, such as catalysis and microwave-assisted reactions, addresses the industry's push for eco-friendly processes. Additionally, its low toxicity profile and high stability under physiological conditions make it a promising candidate for preclinical studies, a topic frequently searched in academic and industrial forums.

From a commercial perspective, CAS No. 1239473-55-2 is often listed in catalogs of fine chemical suppliers, catering to the needs of custom synthesis and contract research organizations (CROs). The compound's pyrazole core is a recurring motif in crop protection agents, reflecting its relevance in agrochemical innovation. With the global emphasis on food security and sustainable agriculture, derivatives of this compound are being investigated for their herbicidal and fungicidal properties.

Analytical characterization of 3-(Methoxymethyl)-5-methyl-1H-pyrazole-4-carboxylic acid typically involves advanced techniques like NMR spectroscopy, HPLC-MS, and X-ray crystallography. These methods ensure high purity and precise structural verification, critical for regulatory compliance in pharmaceutical applications. The compound's solubility in polar solvents like DMSO and methanol further enhances its utility in formulation development.

In summary, 3-(Methoxymethyl)-5-methyl-1H-pyrazole-4-carboxylic acid (CAS No. 1239473-55-2) represents a convergence of medicinal chemistry, green synthesis, and agrochemical research. Its multifaceted applications and alignment with contemporary scientific trends underscore its importance in modern chemical enterprises. As the demand for tailor-made intermediates grows, this compound is poised to remain a focal point in innovation-driven industries.

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