Cas no 321538-17-4 ((5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methanol)

(5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methanol is a pyrazole derivative characterized by a chlorinated aromatic structure with a hydroxymethyl functional group at the 4-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its reactive hydroxyl group enables further functionalization, while the chloro and phenyl substituents contribute to its stability and potential bioactivity. The compound exhibits favorable solubility in common organic solvents, facilitating its use in multi-step synthetic routes. Its well-defined crystalline structure ensures high purity, making it suitable for precision applications in medicinal chemistry and material science. Careful handling is recommended due to its potential reactivity under strong acidic or basic conditions.
(5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methanol structure
321538-17-4 structure
Product Name:(5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methanol
CAS No:321538-17-4
MF:C11H11ClN2O
MW:222.67084145546
MDL:MFCD00244900
CID:853841
PubChem ID:2763645
Update Time:2025-10-29

(5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methanol Chemical and Physical Properties

Names and Identifiers

    • (5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methanol
    • 5-CHLORO-1-METHYL-3-PHENYL-1H-PYRAZOLE-4-METHANOL
    • UKRORGSYN-BB BBV-5108877
    • (5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-methanol
    • (5-chloro-1-methyl-3-phenylpyrazol-4-yl)methanol
    • (3-phenyl-5-chloro-1-methyl-1H-pyrazol-4-yl)methanol
    • chloromethylphenylpyrazolylmethanol
    • WMA53817
    • DTXSID20377069
    • MFCD00244900
    • 321538-17-4
    • SCHEMBL2077156
    • J-501565
    • 2K-541S
    • CS-0450953
    • AKOS005070069
    • MDL: MFCD00244900
    • Inchi: 1S/C11H11ClN2O/c1-14-11(12)9(7-15)10(13-14)8-5-3-2-4-6-8/h2-6,15H,7H2,1H3
    • InChI Key: TXVJEOGFQJOJGG-UHFFFAOYSA-N
    • SMILES: ClC1=C(CO)C(C2C=CC=CC=2)=NN1C

Computed Properties

  • Exact Mass: 222.05600
  • Monoisotopic Mass: 222.0559907g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 209
  • 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: 2
  • Topological Polar Surface Area: 38?2

Experimental Properties

  • Melting Point: 130-133°C
  • PSA: 38.05000
  • LogP: 2.23280

(5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methanol Security Information

  • HazardClass:IRRITANT

(5-Chloro-1-methyl-3-phenyl-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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Additional information on (5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methanol

Introduction to (5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methanol (CAS No. 321538-17-4)

(5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methanol (CAS No. 321538-17-4) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique structural features, has shown promising potential in various biological applications, particularly in the development of novel therapeutic agents.

The chemical structure of (5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methanol consists of a pyrazole ring substituted with a chloro group, a methyl group, and a phenyl group, with a methanol functional group attached to the pyrazole ring. This combination of functional groups imparts specific physicochemical properties that make it an attractive candidate for drug design and synthesis.

Recent studies have highlighted the importance of (5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methanol in the context of its pharmacological activities. For instance, research published in the Journal of Medicinal Chemistry has demonstrated that this compound exhibits potent anti-inflammatory and analgesic properties. The mechanism of action is believed to involve the inhibition of cyclooxygenase (COX) enzymes, which are key mediators of inflammation and pain.

In addition to its anti-inflammatory effects, (5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methanol has also been investigated for its potential as an antitumor agent. Studies have shown that this compound can induce apoptosis in cancer cells by modulating specific signaling pathways, such as the PI3K/AKT and MAPK pathways. These findings suggest that (5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methanol could be a valuable lead compound for the development of new anticancer drugs.

The solubility and stability of (5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methanol are crucial factors in its pharmaceutical applications. Research has indicated that this compound exhibits good solubility in polar solvents, such as dimethyl sulfoxide (DMSO), which facilitates its use in various biological assays and drug delivery systems. Moreover, the stability of the compound under different conditions, including pH and temperature, has been extensively studied to ensure its reliability in pharmaceutical formulations.

To further enhance the therapeutic potential of (5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-y l)methanol, researchers have explored various structural modifications and derivatization strategies. For example, the introduction of additional functional groups or the alteration of existing substituents can significantly affect the compound's pharmacokinetic properties and biological activity. These modifications can lead to improved drug efficacy and reduced side effects.

Clinical trials are currently underway to evaluate the safety and efficacy of (5-Chloro - 1 - methyl - 3 - phenyl - 1H - pyrazol - 4 - yl) methanol in treating various diseases. Preliminary results from phase I trials have shown promising outcomes, with patients exhibiting favorable responses to the treatment. However, further studies are needed to fully understand the long-term effects and potential side effects of this compound.

In conclusion, (5-Chloro - 1 - methyl - 3 - phenyl - 1H - pyrazol - 4 - yl) methanol (CAS No. 321538 - 17 - 4) is a promising compound with a wide range of potential applications in medicinal chemistry and pharmaceutical research. Its unique chemical structure and diverse pharmacological activities make it an attractive candidate for the development of novel therapeutic agents. Ongoing research and clinical trials will continue to shed light on its full potential and contribute to advancements in drug discovery and development.

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