Cas no 925179-02-8 (1-(Difluoromethyl)-1H-pyrazole-3-carboxylic acid)

1-(Difluoromethyl)-1H-pyrazole-3-carboxylic acid is a fluorinated pyrazole derivative with notable applications in pharmaceutical and agrochemical research. Its difluoromethyl group enhances metabolic stability and bioavailability, making it a valuable intermediate in the synthesis of bioactive compounds. The carboxylic acid functionality allows for further derivatization, enabling the development of targeted molecules with improved properties. This compound is particularly useful in medicinal chemistry for designing enzyme inhibitors and receptor modulators due to its structural versatility. High purity and consistent quality ensure reliable performance in synthetic workflows. Its stability under various reaction conditions further underscores its utility in complex organic transformations.
1-(Difluoromethyl)-1H-pyrazole-3-carboxylic acid structure
925179-02-8 structure
Product Name:1-(Difluoromethyl)-1H-pyrazole-3-carboxylic acid
CAS No:925179-02-8
MF:C5H4F2N2O2
MW:162.094267845154
MDL:MFCD03420211
CID:822861
PubChem ID:3154178
Update Time:2025-06-11

1-(Difluoromethyl)-1H-pyrazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(Difluoromethyl)-1H-pyrazole-3-carboxylic acid
    • 1-(difluoromethyl)-1H-pyrazole-3-carboxylic acid(SALTDATA: FREE)
    • 1-DIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
    • 1-(Difluoromethyl)-1H-pyrazole-3-carboxylic acid (ACI)
    • SB85475
    • SCHEMBL298871
    • HMS1698I02
    • STK313260
    • EN300-83619
    • DTXSID70390041
    • DA-40497
    • MFCD03420211
    • 1-difluoromethyl-1 h-pyrazole-3-carboxylic acid
    • SY063001
    • 925179-02-8
    • ALBB-003626
    • AKOS000300353
    • 1-(difluoromethyl)-1H-pyrazole-3-carboxylicacid
    • FS-1860
    • 1-(difluoromethyl)pyrazole-3-carboxylic acid
    • CS-0105146
    • Z1198162467
    • BBL016059
    • MDL: MFCD03420211
    • Inchi: 1S/C5H4F2N2O2/c6-5(7)9-2-1-3(8-9)4(10)11/h1-2,5H,(H,10,11)
    • InChI Key: IUAGBSGAPCSVAE-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CN(C(F)F)N=1)O

Computed Properties

  • Exact Mass: 162.02408370g/mol
  • Monoisotopic Mass: 162.02408370g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 165
  • 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: 0.9
  • Topological Polar Surface Area: 55.1?2

1-(Difluoromethyl)-1H-pyrazole-3-carboxylic acid Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

1-(Difluoromethyl)-1H-pyrazole-3-carboxylic acid Pricemore >>

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1-(Difluoromethyl)-1H-pyrazole-3-carboxylic acid Related Literature

Additional information on 1-(Difluoromethyl)-1H-pyrazole-3-carboxylic acid

1-(Difluoromethyl)-1H-pyrazole-3-carboxylic acid (CAS No: 925179-02-8)

1-(Difluoromethyl)-1H-pyrazole-3-carboxylic acid is a compound of significant interest in the fields of organic chemistry and pharmacology. With the CAS registry number 925179-02-8, this compound has been extensively studied for its potential applications in drug discovery and agrochemicals. The molecule, characterized by its pyrazole ring substituted with a difluoromethyl group and a carboxylic acid moiety, exhibits unique chemical properties that make it a valuable tool in modern research.

The synthesis of 1-(difluoromethyl)-1H-pyrazole-3-carboxylic acid involves a series of well-defined organic reactions, including nucleophilic substitutions and cyclizations. Recent advancements in synthetic methodologies have enabled researchers to optimize the production process, ensuring higher yields and better purity. This compound is particularly notable for its ability to act as a precursor in the development of bioactive molecules, such as herbicides and fungicides.

Recent studies have highlighted the bioactivity of 1-(difluoromethyl)-1H-pyrazole-3-carboxylic acid, particularly in the context of plant protection. Researchers have demonstrated that this compound exhibits potent antifungal activity, making it a promising candidate for the development of new agricultural chemicals. Moreover, its ability to inhibit specific enzymes involved in fungal growth has been thoroughly investigated, providing valuable insights into its mechanism of action.

In addition to its agricultural applications, 1-(difluoromethyl)-1H-pyrazole-3-carboxylic acid has also been explored for its potential in medicinal chemistry. Preclinical studies suggest that this compound may possess anticancer properties, particularly through its ability to modulate key signaling pathways involved in tumor progression. The compound's unique structure allows it to interact with specific receptors, offering a novel approach to cancer therapy.

The physical properties of 1-(difluoromethyl)-1H-pyrazole-3-carboxylic acid are well-documented, with a melting point of approximately 200°C and a solubility profile that makes it suitable for various experimental conditions. Its stability under different environmental conditions has also been assessed, ensuring its reliability as a reagent in laboratory settings.

From an environmental perspective, the degradation pathways of 1-(difluoromethyl)-1H-pyrazole-3-carboxylic acid have been studied to evaluate its potential impact on ecosystems. Research indicates that the compound undergoes rapid biodegradation under aerobic conditions, minimizing its ecological footprint. This information is crucial for regulatory assessments and the safe use of this compound in agricultural and pharmaceutical applications.

In conclusion, 1-(difluoromethyl)-1H-pyrazole-3-carboxylic acid (CAS No: 925179-02-8) is a versatile compound with wide-ranging applications in both industry and academia. Its unique chemical structure, coupled with its demonstrated bioactivity, positions it as a key player in the development of novel drugs and agrochemicals. As research continues to uncover new insights into its properties and mechanisms, this compound is poised to make significant contributions to various fields of science.

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