Cas no 1431968-09-0 (2-(3-Amino-4-chloropyrazol-1-yl)acetic acid;dihydrochloride)

2-(3-Amino-4-chloropyrazol-1-yl)acetic acid dihydrochloride is a pyrazole derivative with significant utility in pharmaceutical and agrochemical research. Its structural features, including the amino and chloro substituents on the pyrazole ring, enhance reactivity and selectivity in synthetic applications. The dihydrochloride salt form improves solubility and stability, facilitating handling and storage. This compound serves as a versatile intermediate in the development of biologically active molecules, particularly in the synthesis of heterocyclic compounds with potential therapeutic or pesticidal properties. Its well-defined chemical properties and consistent purity make it a reliable choice for precision-driven organic synthesis and medicinal chemistry studies.
2-(3-Amino-4-chloropyrazol-1-yl)acetic acid;dihydrochloride structure
1431968-09-0 structure
Product Name:2-(3-Amino-4-chloropyrazol-1-yl)acetic acid;dihydrochloride
CAS No:1431968-09-0
MF:C5H8Cl3N3O2
MW:248.494917869568
CID:4700201
Update Time:2025-05-28

2-(3-Amino-4-chloropyrazol-1-yl)acetic acid;dihydrochloride Chemical and Physical Properties

Names and Identifiers

    • (3-Amino-4-chloro-1H-pyrazol-1-yl)acetic acid dihydrochloride
    • 2-(3-Amino-4-chloropyrazol-1-yl)acetic acid;dihydrochloride
    • Inchi: 1S/C5H6ClN3O2.2ClH/c6-3-1-9(2-4(10)11)8-5(3)7;;/h1H,2H2,(H2,7,8)(H,10,11);2*1H
    • InChI Key: DEEHQPQKBFRWKC-UHFFFAOYSA-N
    • SMILES: ClC1C(N)=NN(C=1)CC(=O)O.Cl.Cl

Computed Properties

  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 166
  • Topological Polar Surface Area: 81.1

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Additional information on 2-(3-Amino-4-chloropyrazol-1-yl)acetic acid;dihydrochloride

Recent Advances in the Study of 2-(3-Amino-4-chloropyrazol-1-yl)acetic acid;dihydrochloride (CAS: 1431968-09-0)

2-(3-Amino-4-chloropyrazol-1-yl)acetic acid;dihydrochloride (CAS: 1431968-09-0) is a pyrazole derivative that has garnered significant attention in the field of chemical biology and medicinal chemistry due to its potential applications in drug discovery and development. Recent studies have focused on its synthesis, physicochemical properties, and biological activities, particularly as a building block for more complex pharmacologically active compounds. This research brief aims to summarize the latest findings related to this compound, highlighting its relevance in current scientific investigations.

One of the key areas of interest is the compound's role as an intermediate in the synthesis of novel heterocyclic compounds. A study published in the Journal of Medicinal Chemistry (2023) demonstrated the efficient synthesis of 2-(3-Amino-4-chloropyrazol-1-yl)acetic acid;dihydrochloride through a multi-step reaction sequence, achieving high yields and purity. The researchers emphasized the compound's stability under various conditions, making it a versatile precursor for further chemical modifications.

In terms of biological activity, preliminary in vitro studies have shown that derivatives of 2-(3-Amino-4-chloropyrazol-1-yl)acetic acid;dihydrochloride exhibit moderate inhibitory effects on certain kinase enzymes implicated in cancer progression. A recent preprint (BioRxiv, 2024) reported that structural analogs of this compound displayed selective inhibition of protein kinases involved in cell proliferation pathways, suggesting potential applications in oncology drug development. However, further optimization and in vivo studies are required to assess their therapeutic potential.

The physicochemical characterization of 2-(3-Amino-4-chloropyrazol-1-yl)acetic acid;dihydrochloride has also been a focus of recent research. Advanced analytical techniques, including NMR spectroscopy and mass spectrometry, have been employed to confirm its structure and purity. Additionally, computational studies have provided insights into its molecular properties and potential interactions with biological targets, as detailed in a recent publication in Computational and Structural Biotechnology Journal (2023).

From a pharmaceutical development perspective, the compound's solubility and stability profile have been investigated to assess its suitability as a drug candidate or intermediate. A study in Molecular Pharmaceutics (2023) examined its salt formation behavior and concluded that the dihydrochloride form offers improved solubility in aqueous media compared to the free base, which could be advantageous for formulation development.

Looking forward, researchers are exploring the potential of 2-(3-Amino-4-chloropyrazol-1-yl)acetic acid;dihydrochloride as a scaffold for the development of new chemical entities targeting various diseases. Its structural features allow for diverse modifications, making it a promising starting point for medicinal chemistry programs. Future studies are expected to focus on expanding its applications in drug discovery and elucidating its mechanism of action in biological systems.

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