Cas no 1031351-95-7 (Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate)

Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate is a versatile pyrazole-based building block used in organic synthesis and pharmaceutical research. Its structure features both a formyl group and an ester functionality, enabling diverse reactivity for further derivatization. The compound is particularly valuable in the preparation of heterocyclic compounds, agrochemicals, and bioactive molecules due to its dual electrophilic sites. The methyl ester group enhances solubility in common organic solvents, facilitating downstream reactions. Its stability under standard conditions and high purity make it a reliable intermediate for multistep syntheses. The product is typically characterized by NMR and HPLC to ensure consistency for research applications.
Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate structure
1031351-95-7 structure
Product Name:Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate
CAS No:1031351-95-7
MF:C7H8N2O3
MW:168.15002155304
MDL:MFCD22376784
CID:1036200
PubChem ID:58498000
Update Time:2025-10-29

Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate
    • methyl 5-formyl-2-methylpyrazole-3-carboxylate
    • 1H-pyrazole-5-carboxylic acid 3-formyl-1-methyl-methyl ester
    • AK112699
    • KB-256480
    • VPSIMTTZTQHQNU-UHFFFAOYSA-N
    • AKOS016010271
    • 5-Formyl-2-methyl-2H-pyrazole-3-carboxylic acid methyl ester
    • DTXSID80729343
    • DS-5754
    • A921480
    • Z1486032399
    • AMY33021
    • SCHEMBL1938052
    • 1031351-95-7
    • DB-209262
    • EN300-252589
    • MFCD22376784
    • Methyl3-forMyl-1-Methyl-1H-pyrazole-5-carboxylate
    • MDL: MFCD22376784
    • Inchi: 1S/C7H8N2O3/c1-9-6(7(11)12-2)3-5(4-10)8-9/h3-4H,1-2H3
    • InChI Key: VPSIMTTZTQHQNU-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC(C=O)=NN1C)=O

Computed Properties

  • Exact Mass: 168.05349212 g/mol
  • Monoisotopic Mass: 168.05349212 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 195
  • 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
  • Molecular Weight: 168.15
  • XLogP3: 0.2
  • Topological Polar Surface Area: 61.2?2

Experimental Properties

  • Boiling Point: 313.3±27.0°C at 760 mmHg

Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate Security Information

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Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate Related Literature

Additional information on Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate

Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate (CAS No. 1031351-95-7): A Comprehensive Overview

Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate (CAS No. 1031351-95-7) is a versatile heterocyclic compound that has garnered significant attention in the field of chemical and pharmaceutical research. This compound, characterized by its pyrazole core structure, serves as a crucial intermediate in the synthesis of various bioactive molecules. The unique functional groups attached to the pyrazole ring, including a formyl group and a carboxylate ester, make it an invaluable building block for drug discovery and material science applications.

The Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate molecule exhibits a high degree of reactivity due to the presence of these functional groups. The formyl group (?CHO) is particularly noteworthy for its ability to participate in condensation reactions, forming Schiff bases and other complex derivatives. These derivatives have been extensively studied for their potential applications in catalysis, coordination chemistry, and as precursors to more complex organic molecules.

The carboxylate ester group (?COOCH?) provides an additional layer of functionality, allowing for further derivatization through ester hydrolysis or transesterification reactions. This flexibility makes the compound highly adaptable for use in synthetic chemistry, enabling researchers to tailor its properties for specific applications.

In recent years, the pharmaceutical industry has shown increasing interest in heterocyclic compounds due to their diverse biological activities. Pyrazole derivatives, in particular, have been identified as key scaffolds in the development of drugs targeting various diseases. The Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate compound has been explored in several preclinical studies as a precursor for potential therapeutic agents.

One of the most promising areas of research involving this compound is its role in the development of antiviral and anticancer drugs. The pyrazole core is known to exhibit inhibitory effects on several enzymes and receptors involved in viral replication and cancer cell proliferation. For instance, studies have demonstrated that certain pyrazole derivatives can interfere with the replication cycle of viruses by inhibiting key viral enzymes such as reverse transcriptase or protease.

Additionally, the formyl group on the Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate molecule allows for the formation of Schiff bases with metal ions. These metal complexes have shown significant promise in photodynamic therapy and as catalysts for various organic transformations. The ability to generate stable and active metal complexes from this compound underscores its importance in both medicinal chemistry and materials science.

The carboxylate ester group also facilitates the attachment of other functional groups through esterification reactions. This property has been exploited in the development of conjugates that combine multiple therapeutic agents into a single molecule. Such conjugates have the potential to enhance drug delivery systems, allowing for targeted therapy with improved efficacy and reduced side effects.

In conclusion, Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate (CAS No. 1031351-95-7) is a multifunctional compound with broad applications in pharmaceutical research and industrial chemistry. Its unique structural features make it an excellent candidate for synthesizing bioactive molecules with potential therapeutic value. As research continues to uncover new applications for this compound, its significance in drug discovery and material science is expected to grow even further.

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