Cas no 25016-17-5 (Methyl 5-methyl-1H-pyrazole-3-carboxylate)

Methyl 5-methyl-1H-pyrazole-3-carboxylate is a versatile pyrazole derivative widely used as a key intermediate in pharmaceutical and agrochemical synthesis. Its pyrazole core provides a stable heterocyclic framework, while the ester and methyl substituents enhance reactivity for further functionalization. This compound is particularly valuable in the development of biologically active molecules due to its ability to serve as a building block for more complex structures. It exhibits good solubility in common organic solvents, facilitating its use in diverse synthetic applications. The product is characterized by high purity and consistent quality, ensuring reliable performance in research and industrial processes.
Methyl 5-methyl-1H-pyrazole-3-carboxylate structure
25016-17-5 structure
Product Name:Methyl 5-methyl-1H-pyrazole-3-carboxylate
CAS No:25016-17-5
MF:C6H8N2O2
MW:140.139921188354
MDL:MFCD03778987
CID:241208
PubChem ID:253660224
Update Time:2025-11-02

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

Names and Identifiers

    • Methyl 5-methyl-1H-pyrazole-3-carboxylate
    • 5-Methylpyrazole-3-carboxylic Acid Methyl Ester
    • Methyl 5-Methylpyrazole-3-carboxylate
    • Methyl 5-methyl[1H]pyrazole-3-carboxylate
    • 1H-Pyrazole-3-carboxylicacid, 5-methyl-, methyl ester
    • 3(5)-carboxymethyl-5(3)-methylpyrazole
    • 5-methoxycarbonyl-3-methylpyzazole
    • 5-methyl-1(2)H-pyrazole-3-carboxylic acid methyl ester
    • 5-Methyl-1H-pyrazole-3-carboxylic acid methyl ester
    • 5-methyl-2H-pyrazole-3-carboxylic acid methyl ester
    • 5-Methylpyrazol
    • methyl 5-methyl-2H-pyrazole-3-carboxylate
    • methylmethylpyrazolecarboxylate
    • methyl 3-methyl-1H-pyrazole-5-carboxylate
    • 1H-Pyrazole-3-carboxylic acid, 5-methyl-, methyl ester
    • KSC554Q1L
    • AMOT0250
    • CS-W008500
    • EN300-52178
    • MFCD03778987
    • 25016-17-5
    • M2465
    • GFEZEVUIYRGWNU-UHFFFAOYSA-N
    • Methyl 5-methylpyrazole-3-carboxylate, 97%
    • DTXSID50372961
    • FT-0680103
    • 12X-0844
    • AC-27317
    • 5-methoxycarbonyl-3-me-thylpyrazole
    • SCHEMBL171413
    • methyl3-methyl-1H-pyrazole-5-carboxylate
    • Z425822726
    • AM85681
    • J-522493
    • AKOS000280688
    • F11978
    • SY051122
    • AKOS000348709
    • 30027-55-5
    • 1H-Pyrazole-3-carboxylicacid,5-methyl-,methyl ester
    • STK350172
    • BBL030093
    • DB-067295
    • MDL: MFCD03778987
    • Inchi: 1S/C6H8N2O2/c1-4-3-5(8-7-4)6(9)10-2/h3H,1-2H3,(H,7,8)
    • InChI Key: GFEZEVUIYRGWNU-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=C(C)NN=1)=O

Computed Properties

  • Exact Mass: 140.05900
  • Monoisotopic Mass: 140.058577502 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 138
  • 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
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: 0.8
  • Molecular Weight: 140.14
  • Topological Polar Surface Area: 55

Experimental Properties

  • Density: 1.217±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 81.0 to 85.0 deg-C
  • Boiling Point: 289.3±20.0 oC (760 Torr),
  • Flash Point: 128.8±21.8 oC,
  • Refractive Index: 1.526
  • Solubility: Slightly soluble (2 g/l) (25 o C),
  • PSA: 54.98000
  • LogP: 0.50470

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

  • Hazard Statement: H302-H315-H319-H335
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • HazardClass:IRRITANT
  • Storage Condition:Keep in dark place,Inert atmosphere,2-8°C

Methyl 5-methyl-1H-pyrazole-3-carboxylate 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%

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

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

Methyl 5-methyl-1H-pyrazole-3-carboxylate (CAS No. 25016-17-5): Properties, Applications, and Market Insights

Methyl 5-methyl-1H-pyrazole-3-carboxylate (CAS No. 25016-17-5) is a versatile organic compound widely used in pharmaceutical and agrochemical research. This pyrazole derivative has gained significant attention due to its unique chemical structure and broad range of applications. With the increasing demand for heterocyclic compounds in drug discovery, this molecule has become a key intermediate in synthetic chemistry.

The compound belongs to the class of methyl pyrazole carboxylates, characterized by a five-membered aromatic ring containing two nitrogen atoms. Its molecular formula is C6H8N2O2, with a molecular weight of 140.14 g/mol. The presence of both ester and methyl functional groups makes it particularly valuable for further chemical modifications. Researchers often search for "synthesis of methyl 5-methyl-1H-pyrazole-3-carboxylate" or "applications of pyrazole derivatives" when exploring this compound's potential.

In pharmaceutical applications, Methyl 5-methyl-1H-pyrazole-3-carboxylate serves as a crucial building block for developing various bioactive molecules. Recent studies have highlighted its role in creating potential anti-inflammatory agents and antimicrobial compounds. The growing interest in "pyrazole-based drug discovery" reflects the compound's importance in modern medicinal chemistry. Its structural features allow for easy modification, making it attractive for designing new therapeutic candidates.

The agrochemical industry also benefits from this compound, where it's used in developing novel crop protection agents. As concerns about "sustainable agriculture" and "eco-friendly pesticides" continue to rise, researchers are exploring pyrazole derivatives as potential solutions. The compound's stability and reactivity make it suitable for creating new generations of agricultural chemicals with improved environmental profiles.

From a synthetic chemistry perspective, Methyl 5-methyl-1H-pyrazole-3-carboxylate offers excellent opportunities for structure-activity relationship studies. Chemists frequently investigate "pyrazole ring modifications" and "ester group transformations" using this compound as a starting material. Its relatively simple structure allows for diverse chemical reactions, including nucleophilic substitutions and cyclizations.

The market for pyrazole derivatives has shown steady growth, driven by increasing R&D activities in both pharmaceutical and agricultural sectors. Recent trends indicate rising searches for "custom synthesis of methyl pyrazole carboxylates" and "bulk suppliers of CAS 25016-17-5". This reflects the compound's commercial importance and the need for reliable supply chains in research and industrial applications.

Quality control is essential when working with Methyl 5-methyl-1H-pyrazole-3-carboxylate. Analytical techniques such as HPLC, NMR, and mass spectrometry are commonly employed to verify purity and structure. Researchers often look for "analytical methods for pyrazole derivatives" to ensure proper characterization of their compounds.

Storage and handling of Methyl 5-methyl-1H-pyrazole-3-carboxylate require standard laboratory precautions. The compound should be kept in a cool, dry place, protected from moisture and direct sunlight. While not classified as hazardous under normal conditions, proper laboratory safety protocols should always be followed when handling any chemical substance.

Future research directions for this compound include exploring its potential in material science applications and as a ligand in coordination chemistry. The growing interest in "functional materials from heterocycles" suggests new opportunities for this versatile molecule. Its relatively simple synthesis and modification possibilities make it an attractive candidate for various advanced applications.

In conclusion, Methyl 5-methyl-1H-pyrazole-3-carboxylate (CAS No. 25016-17-5) represents an important class of heterocyclic compounds with wide-ranging applications. Its significance in pharmaceutical research, agrochemical development, and synthetic chemistry continues to grow, as evidenced by increasing scientific publications and patent applications. The compound's versatility ensures it will remain a valuable tool for researchers across multiple disciplines in the years to come.

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