Cas no 1001518-84-8 (3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid)

3-[4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid is a versatile pyrazole-based carboxylic acid derivative with notable applications in pharmaceutical and agrochemical research. Its structure, featuring a chloro-methyl-trifluoromethyl-substituted pyrazole core, enhances reactivity and binding affinity, making it valuable as an intermediate in synthetic chemistry. The trifluoromethyl group contributes to increased lipophilicity and metabolic stability, while the propanoic acid moiety allows for further functionalization. This compound exhibits potential as a building block for bioactive molecules, particularly in the development of enzyme inhibitors or herbicides. Its well-defined purity and stability under standard conditions ensure reliable performance in experimental settings.
3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid structure
1001518-84-8 structure
Product Name:3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
CAS No:1001518-84-8
MF:C8H8ClF3N2O2
MW:256.609531402588
MDL:MFCD03419694
CID:3058818
PubChem ID:7018484
Update Time:2025-11-06

3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoic acid
    • AKOS B007257
    • ART-CHEM-BB B007257
    • 3-[4-Chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
    • 3-(4-CHLORO-5-METHYL-3-TRIFLUOROMETHYL-PYRAZOL-1-YL)-PROPIONIC ACID
    • 3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
    • 1001518-84-8
    • STK312111
    • EN300-83596
    • XNVYKDRELPWPSB-UHFFFAOYSA-N
    • CS-0262729
    • BBL038471
    • AKOS000308186
    • MFCD03419694
    • BQB51884
    • 3-(4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoicacid
    • F2169-0840
    • SCHEMBL13757103
    • MDL: MFCD03419694
    • Inchi: 1S/C8H8ClF3N2O2/c1-4-6(9)7(8(10,11)12)13-14(4)3-2-5(15)16/h2-3H2,1H3,(H,15,16)
    • InChI Key: XNVYKDRELPWPSB-UHFFFAOYSA-N
    • SMILES: ClC1C(C(F)(F)F)=NN(C=1C)CCC(=O)O

Computed Properties

  • Exact Mass: 256.0226397Da
  • Monoisotopic Mass: 256.0226397Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 274
  • 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: 1.6
  • Topological Polar Surface Area: 55.1?2

3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid Security Information

  • Hazard Category Code: 25
  • Safety Instruction: 45
  • Hazardous Material Identification: Xi T
  • HazardClass:IRRITANT

3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid Pricemore >>

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Additional information on 3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid

3-[4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic Acid (CAS No. 1001518-84-8): A Comprehensive Overview

3-[4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid (CAS No. 1001518-84-8) is a specialized heterocyclic compound with significant applications in pharmaceutical and agrochemical research. This compound belongs to the pyrazole derivatives family, known for their diverse biological activities and structural versatility. Its unique chemical structure, featuring a trifluoromethyl group and a chloro substituent, makes it a valuable intermediate in drug discovery and crop protection formulations.

The molecular formula of 3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid is C8H8ClF3N2O2, with a molecular weight of 256.61 g/mol. The presence of both electron-withdrawing groups (trifluoromethyl and chloro) and the propanoic acid moiety contributes to its distinctive physicochemical properties. Researchers are particularly interested in this compound due to its potential as a bioactive scaffold for developing novel therapeutic agents and agricultural chemicals.

In pharmaceutical applications, pyrazole derivatives like CAS 1001518-84-8 have shown promise in addressing current healthcare challenges. With growing interest in targeted therapies and precision medicine, this compound's structural features make it suitable for modulating specific biological pathways. Recent studies explore its potential in developing anti-inflammatory agents and metabolic disorder treatments, aligning with the increasing focus on chronic disease management.

The agrochemical industry values 3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid for its potential in creating next-generation crop protection solutions. As global agriculture faces challenges from climate change and pesticide resistance, researchers are investigating this compound's efficacy in developing environmentally friendly pesticides with improved target specificity. Its trifluoromethyl group enhances biological activity while potentially reducing environmental persistence.

Synthetic approaches to CAS 1001518-84-8 typically involve multi-step organic reactions, with careful control of reaction conditions to optimize yield and purity. The compound's regioselective synthesis presents interesting challenges for process chemists, making it a subject of ongoing research in green chemistry and sustainable manufacturing methodologies. These aspects are particularly relevant given the current emphasis on eco-friendly chemical production.

Analytical characterization of 3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid employs advanced techniques including NMR spectroscopy, mass spectrometry, and HPLC analysis. Quality control protocols for this compound are rigorous, reflecting its importance as a research chemical. The growing demand for high-purity intermediates in drug discovery has increased attention on reliable analytical methods for compounds like this.

The market for pyrazole-based compounds continues to expand, driven by their versatility in various applications. CAS 1001518-84-8 occupies a niche position in this market, with specialized suppliers catering to research institutions and pharmaceutical developers. Current trends in custom synthesis and contract research have created new opportunities for manufacturers of such specialized intermediates.

Safety considerations for handling 3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid follow standard laboratory protocols for organic compounds. While not classified as hazardous under normal research conditions, proper personal protective equipment and ventilation systems are recommended during handling. These precautions align with the broader industry movement toward enhanced laboratory safety standards.

Future research directions for CAS 1001518-84-8 may explore its potential in emerging areas like bioconjugation chemistry or as a building block for functional materials. The compound's unique structural features offer possibilities for innovation in multiple scientific domains. As the chemical industry continues to prioritize molecular diversity and structural novelty, compounds like this will remain valuable tools for scientific advancement.

In conclusion, 3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid represents an important chemical entity with broad potential across multiple research fields. Its combination of heterocyclic architecture and functional group diversity makes it particularly relevant in today's research landscape focused on targeted molecular design and sustainable chemistry solutions. As scientific understanding of pyrazole chemistry deepens, the applications for this specific compound are likely to expand further.

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