Cas no 1177349-02-8 (4-Bromo-1H-pyrazole-1-propanamide)

4-Bromo-1H-pyrazole-1-propanamide is a brominated pyrazole derivative with potential applications in pharmaceutical and agrochemical research. Its structure features a reactive bromine substituent, enabling further functionalization via cross-coupling or nucleophilic substitution reactions. The propanamide side chain enhances solubility and offers a handle for additional modifications, making it a versatile intermediate in synthetic chemistry. This compound is particularly useful in the development of biologically active molecules, including kinase inhibitors and antimicrobial agents. Its stability under standard conditions and well-defined reactivity profile contribute to its utility in high-precision organic synthesis. Proper handling and storage are recommended to maintain its integrity.
4-Bromo-1H-pyrazole-1-propanamide structure
1177349-02-8 structure
Product Name:4-Bromo-1H-pyrazole-1-propanamide
CAS No:1177349-02-8
MF:C6H8BrN3O
MW:218.051219940186
MDL:MFCD12030835
CID:1005764
PubChem ID:45791238
Update Time:2025-05-20

4-Bromo-1H-pyrazole-1-propanamide Chemical and Physical Properties

Names and Identifiers

    • 3-(4-Bromo-1H-pyrazol-1-yl)propanamide
    • 4-Bromo-1H-pyrazole-1-propanamide
    • STL163908
    • MFCD12030835
    • 3-(4-bromopyrazol-1-yl)propanamide
    • EN300-651408
    • 1177349-02-8
    • DTXSID40672482
    • LS-04006
    • AKOS002657213
    • MDL: MFCD12030835
    • Inchi: 1S/C6H8BrN3O/c7-5-3-9-10(4-5)2-1-6(8)11/h3-4H,1-2H2,(H2,8,11)
    • InChI Key: FOMDURNFVFITBG-UHFFFAOYSA-N
    • SMILES: BrC1C=NN(C=1)CCC(N)=O

Computed Properties

  • Exact Mass: 216.98507g/mol
  • Monoisotopic Mass: 216.98507g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 153
  • 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: -0.3
  • Topological Polar Surface Area: 60.9?2

4-Bromo-1H-pyrazole-1-propanamide Security Information

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4-Bromo-1H-pyrazole-1-propanamide Related Literature

Additional information on 4-Bromo-1H-pyrazole-1-propanamide

4-Bromo-1H-pyrazole-1-propanamide (CAS No. 1177349-02-8)

4-Bromo-1H-pyrazole-1-propanamide, identified by the CAS registry number 1177349-02-8, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound belongs to the class of pyrazole derivatives, which are widely studied due to their diverse biological activities and potential applications in drug discovery. The structure of 4-bromo-pyrazole is characterized by a five-membered aromatic ring containing two nitrogen atoms, with a bromine substituent at the fourth position and a propanamide group attached at the first position.

The synthesis of 4-bromo-pyrazole derivatives has been extensively explored in recent years, driven by their promising roles in various therapeutic areas. Researchers have developed efficient methods for the preparation of this compound, including microwave-assisted synthesis and catalytic processes that enhance reaction yields and selectivity. These advancements have made it possible to produce high-quality samples for further biological evaluation.

In terms of biological activity, 4-bromo-pyrazole-based compounds have shown remarkable potential as inhibitors of key enzymes involved in disease pathways. For instance, studies have demonstrated that this compound exhibits potent inhibitory effects against kinases, which are critical targets in cancer therapy. Additionally, its ability to modulate other enzyme activities makes it a valuable tool in the development of novel therapeutic agents.

The structural versatility of pyrazole derivatives allows for extensive functionalization, enabling researchers to explore various substitution patterns and optimize bioavailability. Recent research has focused on modifying the propanamide group to improve pharmacokinetic properties, such as solubility and absorption rates. These modifications have led to compounds with enhanced efficacy and reduced toxicity profiles.

In the context of drug design, the integration of computational chemistry techniques has significantly accelerated the discovery process for compounds like 4-bromo-pyrazole. Advanced molecular modeling tools enable scientists to predict binding affinities and optimize molecular structures before experimental validation. This approach has been instrumental in identifying lead compounds with high potential for clinical development.

The application of green chemistry principles has also influenced the synthesis and characterization of this compound. Environmentally friendly reaction conditions and recyclable catalysts are now being employed to minimize waste and reduce ecological impact. Such practices align with global efforts to promote sustainable chemical manufacturing.

In summary, 4-bromo-pyrazole-1-propanamide (CAS No. 1177349-02-8) stands as a testament to the ongoing progress in chemical innovation. Its unique properties, combined with cutting-edge research methodologies, position it as a promising candidate for future therapeutic interventions across multiple disease areas.

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