Cas no 112029-98-8 ((1-Methyl-1H-pyrazol-4-yl)methanol)

(1-Methyl-1H-pyrazol-4-yl)methanol is a versatile heterocyclic alcohol with applications in pharmaceutical and agrochemical synthesis. Its pyrazole core provides a stable scaffold for further functionalization, making it valuable as an intermediate in medicinal chemistry. The hydroxymethyl group at the 4-position offers a reactive handle for derivatization, enabling the formation of esters, ethers, or other modified structures. This compound exhibits good solubility in polar organic solvents, facilitating its use in various reaction conditions. Its stability under standard storage conditions and compatibility with common synthetic methodologies enhance its utility in multi-step synthesis. The structural features of this compound make it particularly useful for constructing biologically active molecules, including kinase inhibitors and other therapeutic agents.
(1-Methyl-1H-pyrazol-4-yl)methanol structure
112029-98-8 structure
Product Name:(1-Methyl-1H-pyrazol-4-yl)methanol
CAS No:112029-98-8
MF:C5H8N2O
MW:112.129820823669
MDL:MFCD01822311
CID:62900
PubChem ID:11961423
Update Time:2025-08-03

(1-Methyl-1H-pyrazol-4-yl)methanol Chemical and Physical Properties

Names and Identifiers

    • (1-Methyl-1H-pyrazol-4-yl)methanol
    • 1-Methyl-1H-pyrazole-4-methanol
    • 4-Hydroxymethyl-1-Methylpyrazole
    • (1-methylpyrazol-4-yl)methanol
    • 4-(Hydroxymethyl)-1-methylpyrazole
    • (1-methyl-4-pyrazolyl)methanol
    • 1H-pyrazole-4-methanol, 1-methyl-
    • (1-methyl-1H-pyrazol-4-yl)methanol(SALTDATA: FREE)
    • (1-Methyl-1H-pyrazol-4-yl)-methanol
    • (1-methylpyrazol-4-yl)methan-1-ol
    • PubChem13305
    • KSC903E2F
    • AMOT0258
    • 1-Methyl-1h-pyrazol-4-methanol
    • 1-methyl-4-hydroxymethylpyrazole
    • QSXREDPBMQKKAY-UHFFFAOYSA-N
    • BBL016024
    • SCHEMBL1208394
    • F2124-0699
    • J-504893
    • 112029-98-8
    • SY017187
    • BB 0257700
    • DTXSID00474803
    • AM20080070
    • Z198954582
    • CS-W004779
    • EN300-24530
    • FT-0657026
    • AC-6342
    • AKOS000119266
    • PB19942
    • 1H-Pyrazole-4-methanol,1-methyl-
    • MFCD01822311
    • BS-12807
    • (1-Methyl-1H-pyrazol-4-yl...
    • DB-016245
    • ALBB-012453
    • STK312513
    • MDL: MFCD01822311
    • Inchi: 1S/C5H8N2O/c1-7-3-5(4-8)2-6-7/h2-3,8H,4H2,1H3
    • InChI Key: QSXREDPBMQKKAY-UHFFFAOYSA-N
    • SMILES: OCC1C=NN(C)C=1

Computed Properties

  • Exact Mass: 112.06400
  • Monoisotopic Mass: 112.063662883 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 76.8
  • 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
  • Topological Polar Surface Area: 38
  • Molecular Weight: 112.13
  • XLogP3: -0.7

Experimental Properties

  • Density: 1.16
  • Boiling Point: 244 oC
  • Flash Point: 101 oC
  • Refractive Index: 1.552
  • PSA: 38.05000
  • LogP: -0.08760

(1-Methyl-1H-pyrazol-4-yl)methanol Security Information

(1-Methyl-1H-pyrazol-4-yl)methanol 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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(1-Methyl-1H-pyrazol-4-yl)methanol Production Method

(1-Methyl-1H-pyrazol-4-yl)methanol Related Literature

Additional information on (1-Methyl-1H-pyrazol-4-yl)methanol

Chemical Profile of (1-Methyl-1H-pyrazol-4-yl)methanol (CAS No. 112029-98-8)

(1-Methyl-1H-pyrazol-4-yl)methanol, identified by its CAS number 112029-98-8, is a significant compound in the field of pharmaceutical chemistry and bioorganic synthesis. This heterocyclic alcohol features a pyrazole core substituted with a methyl group at the 1-position and a hydroxymethyl group at the 4-position, making it a versatile intermediate for the development of various biologically active molecules.

The pyrazole scaffold is well-documented for its broad spectrum of pharmacological activities, including antiviral, anti-inflammatory, and anticancer properties. The structural motif of (1-Methyl-1H-pyrazol-4-yl)methanol allows for further functionalization, enabling the synthesis of more complex derivatives with enhanced therapeutic potential. Recent advancements in medicinal chemistry have highlighted the importance of pyrazole derivatives in drug discovery, particularly in targeting enzymes and receptors involved in critical disease pathways.

In recent years, researchers have been exploring novel synthetic routes to optimize the production of (1-Methyl-1H-pyrazol-4-yl)methanol. One such approach involves catalytic hydrogenation of pyrazole derivatives, which offers high selectivity and yield under mild conditions. These methods align with the growing emphasis on green chemistry principles, reducing waste and energy consumption while maintaining efficiency. The compound's stability under various reaction conditions also makes it a valuable building block for large-scale synthesis.

The biological activity of (1-Methyl-1H-pyrazol-4-yl)methanol has been extensively studied in vitro and in vivo. Preliminary research suggests that it exhibits inhibitory effects on certain kinases, which are overexpressed in various cancers. Additionally, its ability to modulate immune responses has been explored in models of inflammation and autoimmune diseases. These findings underscore the compound's potential as a lead molecule for further drug development.

The pharmaceutical industry has shown particular interest in derivatives of (1-Methyl-1H-pyrazol-4-yl)methanol due to their structural diversity and biological relevance. For instance, modifications at the hydroxymethyl group can introduce additional pharmacophores, enhancing binding affinity to target proteins. Computational modeling and high-throughput screening have been employed to identify promising candidates for further optimization. Such integrative approaches are accelerating the discovery pipeline for novel therapeutics.

The synthetic utility of (1-Methyl-1H-pyrazol-4-yl)methanol extends beyond pharmaceutical applications. It serves as a key intermediate in agrochemicals, where pyrazole derivatives are known for their pesticidal and herbicidal properties. The compound's versatility underscores its importance in industrial chemistry, where efficient synthesis and functionalization are critical for developing cost-effective solutions.

Recent patents have highlighted innovative uses of (1-Methyl-1H-pyrazol-4-yl)methanol in material science. Its ability to form stable complexes with metal ions has led to the development of novel catalysts and luminescent materials. These applications demonstrate the compound's broad utility across multiple scientific disciplines, reinforcing its significance in modern chemical research.

The future prospects for (1-Methyl-1H-pyrazol-4-yl)methanol are promising, with ongoing studies focusing on its role in next-generation therapeutics. Collaborative efforts between academia and industry are expected to yield groundbreaking discoveries, leveraging cutting-edge technologies such as CRISPR-based screening and artificial intelligence-driven drug design. These innovations will further enhance our understanding of the compound's potential applications.

In conclusion, (1-Methyl-1H-pyrazol-4-yl)methanol (CAS No. 112029-98-8) represents a cornerstone in synthetic chemistry and drug development. Its unique structural features and broad biological activity make it an invaluable asset for researchers across multiple fields. As scientific knowledge advances, we can anticipate even more exciting applications emerging from this versatile compound.

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