Cas no 351990-74-4 (5-amino-4-bromo-1H-pyrazole-3-carboxylic Acid)

5-amino-4-bromo-1H-pyrazole-3-carboxylic Acid structure
351990-74-4 structure
Product Name:5-amino-4-bromo-1H-pyrazole-3-carboxylic Acid
CAS No:351990-74-4
MF:C4H4BrN3O2
MW:205.997459411621
MDL:MFCD14584643
CID:1017626
PubChem ID:4586322
Update Time:2025-07-20

5-amino-4-bromo-1H-pyrazole-3-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3-carboxylicacid,5-amino-4-bromo-(9CI)
    • 3-Amino-4-bromo-1H-pyrazole-5-carboxylic acid
    • 5-amino-4-bromo-1H-Pyrazole-3-carboxylic acid
    • AKOS003235620
    • AS-68379
    • EN300-192719
    • DB-069162
    • 5-amino-4-bromo-2H-pyrazole-3-carboxylic Acid
    • AKOS023616070
    • MFCD01528032
    • DB-348048
    • DTXSID40404568
    • STK343670
    • I10724
    • 351990-74-4
    • CS-0157951
    • 1092683-01-6
    • 3-Amino-4-bromo-1H-pyrazol-5-carboxylic acid
    • 1H-pyrazole-5-carboxylic acid, 3-amino-4-bromo-
    • ALBB-028509
    • 5-amino-4-bromo-1H-pyrazole-3-carboxylic Acid
    • MDL: MFCD14584643
    • Inchi: 1S/C4H4BrN3O2/c5-1-2(4(9)10)7-8-3(1)6/h(H,9,10)(H3,6,7,8)
    • InChI Key: SCEKKLHVSKHWEY-UHFFFAOYSA-N
    • SMILES: BrC1C(N)=NNC=1C(=O)O

Computed Properties

  • Exact Mass: 204.94900
  • Monoisotopic Mass: 204.94869g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • 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: 0.4
  • Topological Polar Surface Area: 92?2

Experimental Properties

  • PSA: 92.00000
  • LogP: 1.03380

5-amino-4-bromo-1H-pyrazole-3-carboxylic Acid Pricemore >>

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Additional information on 5-amino-4-bromo-1H-pyrazole-3-carboxylic Acid

Comprehensive Overview of 5-amino-4-bromo-1H-pyrazole-3-carboxylic Acid (CAS No. 351990-74-4)

5-amino-4-bromo-1H-pyrazole-3-carboxylic Acid (CAS No. 351990-74-4) is a heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its versatile chemical structure. The presence of both amino and carboxylic acid functional groups makes it a valuable intermediate for synthesizing more complex molecules. Researchers are particularly interested in its potential applications in drug discovery, especially in the development of kinase inhibitors and antimicrobial agents.

In recent years, the demand for pyrazole derivatives has surged, driven by their role in designing novel therapeutics. The bromo substitution at the 4-position of the pyrazole ring enhances the compound's reactivity, enabling further functionalization. This characteristic is crucial for medicinal chemists aiming to optimize drug candidates for improved bioavailability and target specificity. The compound's CAS number 351990-74-4 is frequently searched in chemical databases, reflecting its growing relevance in R&D.

One of the trending topics in organic chemistry is the exploration of sustainable synthesis methods. 5-amino-4-bromo-1H-pyrazole-3-carboxylic Acid can be synthesized using green chemistry principles, such as catalyst-free reactions or solvent-free conditions, aligning with the global push for environmentally friendly practices. This approach not only reduces waste but also lowers production costs, making it a preferred choice for industrial-scale manufacturing.

The compound's solubility and stability under various pH conditions are also critical factors for its application in formulation development. Studies have shown that its carboxylic acid group allows for salt formation, improving solubility in aqueous media—a key consideration for oral drug delivery systems. Additionally, its thermal stability makes it suitable for high-temperature reactions, expanding its utility in process chemistry.

From a commercial perspective, 5-amino-4-bromo-1H-pyrazole-3-carboxylic Acid is listed by several specialty chemical suppliers, with pricing and purity (e.g., >98%) being common search queries. The compound's scalability and compatibility with automated synthesis platforms further enhance its appeal for high-throughput screening in drug discovery pipelines.

In agrochemical research, this pyrazole derivative is investigated for its potential as a precursor to herbicides and fungicides. The bromo moiety's electron-withdrawing properties can influence the bioactivity of downstream products, offering a pathway to develop crop protection agents with novel modes of action. This aligns with the agricultural sector's need for solutions to address resistance issues in pests and pathogens.

Analytical techniques such as HPLC, NMR, and mass spectrometry are routinely employed to characterize CAS 351990-74-4, ensuring compliance with regulatory standards. Quality control protocols emphasize the detection of impurities, which is vital for applications in GMP-compliant environments. The compound's spectral data is often shared in open-access journals, facilitating collaborative research efforts.

Future directions for 5-amino-4-bromo-1H-pyrazole-3-carboxylic Acid include its integration into metal-organic frameworks (MOFs) for catalytic applications and its role in peptide mimetics design. As the scientific community continues to explore its properties, this compound is poised to remain a focal point in interdisciplinary research.

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