Cas no 10234-77-2 (5-Methylpyrazolidin-3-one Hydrochloride)

5-Methylpyrazolidin-3-one Hydrochloride is a chemically synthesized compound primarily utilized in pharmaceutical and organic synthesis research. Its pyrazolidinone core structure makes it a valuable intermediate for developing biologically active molecules, particularly in medicinal chemistry applications. The hydrochloride salt form enhances solubility and stability, facilitating handling and reactivity in synthetic processes. This compound exhibits potential utility in the study of enzyme inhibition and as a precursor for heterocyclic derivatives. Its well-defined molecular structure allows for precise modifications, supporting investigations into structure-activity relationships. Suitable for controlled laboratory use, it requires proper storage under anhydrous conditions to maintain integrity.
5-Methylpyrazolidin-3-one Hydrochloride structure
10234-77-2 structure
Product Name:5-Methylpyrazolidin-3-one Hydrochloride
CAS No:10234-77-2
MF:C4H9ClN2O
MW:136.580059766769
CID:204827
PubChem ID:16370087
Update Time:2025-10-23

5-Methylpyrazolidin-3-one Hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 3-Pyrazolidinone,5-methyl-, hydrochloride (1:1)
    • 3-PYRAZOLIDINONE, 5-METHYL-, MONOHYDROCHLORIDE
    • 5-methylpyrazolidin-3-one,hydrochloride
    • 5-Methyl-3-pyrazolidinone monohydrochloride
    • AC1Q39K9
    • AG-A-86605
    • AGN-PC-00XZ0F
    • CTK6C4873
    • NSC525497
    • SureCN3751771
    • UNII-GZV3QWF9L8
    • Z217165562
    • EN300-25728
    • 5-Methyl-3-pyrazolidinone hydrochloride
    • SCHEMBL3751771
    • E87261
    • CS-0242958
    • 5-methylpyrazolidin-3-onehydrochloride
    • SY171174
    • AKOS009102890
    • 3-Pyrazolidinone, 5-methyl-, hydrochloride (1:1)
    • 10234-77-2
    • DTXSID20585869
    • 5-Methylpyrazolidin-3-one--hydrogen chloride (1/1)
    • GZV3QWF9L8
    • 3-Pyrazolidinone, 5-methyl-, hydrochloride
    • 5-methylpyrazolidin-3-one hydrochloride
    • NSC-525497
    • 5-methylpyrazolidin-3-one;hydrochloride
    • MFCD08457597
    • HS-3034
    • 5-Methylpyrazolidin-3-one HCl
    • 5-Methylpyrazolidin-3-one Hydrochloride
    • Inchi: 1S/C4H8N2O.ClH/c1-3-2-4(7)6-5-3;/h3,5H,2H2,1H3,(H,6,7);1H
    • InChI Key: PBQPYEWCNDAHIM-UHFFFAOYSA-N
    • SMILES: Cl.O=C1CC(C)NN1

Computed Properties

  • Exact Mass: 136.040341g/mol
  • Monoisotopic Mass: 136.040341g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 91.7
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 136.58g/mol
  • Topological Polar Surface Area: 41.1?2

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Additional information on 5-Methylpyrazolidin-3-one Hydrochloride

Comprehensive Overview of 5-Methylpyrazolidin-3-one Hydrochloride (CAS No. 10234-77-2)

5-Methylpyrazolidin-3-one Hydrochloride (CAS No. 10234-77-2) is a specialized organic compound that has garnered significant attention in pharmaceutical and biochemical research. This compound, characterized by its pyrazolidinone core structure, is often explored for its potential applications in drug development and molecular synthesis. Researchers are particularly interested in its role as a building block for more complex molecules, given its unique chemical properties and reactivity.

The hydrochloride salt form of 5-Methylpyrazolidin-3-one enhances its solubility and stability, making it a preferred choice for laboratory and industrial applications. Its molecular formula, C4H8N2O·HCl, reflects its simple yet versatile structure, which allows for diverse modifications. This adaptability is crucial in fields like medicinal chemistry, where slight structural changes can lead to significant differences in biological activity.

One of the most frequently asked questions about 5-Methylpyrazolidin-3-one Hydrochloride is its role in enzyme inhibition studies. Recent trends in drug discovery highlight the importance of small molecules that can modulate enzymatic activity, and this compound has shown promise in preliminary screenings. Its ability to interact with specific enzyme active sites makes it a valuable tool for researchers investigating metabolic pathways and disease mechanisms.

Another area of growing interest is the compound's potential in neuropharmacology. With the rise of neurological disorders such as Alzheimer's and Parkinson's disease, scientists are actively searching for novel compounds that can cross the blood-brain barrier and exert therapeutic effects. While 5-Methylpyrazolidin-3-one Hydrochloride is not yet a clinical candidate, its structural features align with those of known neuroactive agents, prompting further investigation.

From a synthetic chemistry perspective, the compound's reactive nitrogen atoms and carbonyl group offer multiple sites for functionalization. This makes it a versatile intermediate in the synthesis of heterocyclic compounds, which are prevalent in many FDA-approved drugs. The demand for such intermediates is increasing, driven by the pharmaceutical industry's need for efficient and scalable synthetic routes.

Environmental and safety considerations are also critical when working with 5-Methylpyrazolidin-3-one Hydrochloride. While it is not classified as a hazardous material, proper handling and storage are essential to maintain its integrity and prevent degradation. Researchers are encouraged to follow standard laboratory protocols, including the use of personal protective equipment (PPE) and adequate ventilation.

In the context of green chemistry, there is a push to develop more sustainable methods for synthesizing compounds like 5-Methylpyrazolidin-3-one Hydrochloride. Innovations such as catalytic processes and solvent-free reactions are being explored to reduce waste and energy consumption. These advancements align with global efforts to minimize the environmental impact of chemical manufacturing.

The compound's spectroscopic properties, including its NMR and IR spectra, are well-documented, aiding in its identification and purity assessment. These analytical tools are indispensable for quality control in both research and production settings. Additionally, advancements in computational chemistry have enabled more accurate predictions of its behavior in various chemical environments, further enhancing its utility.

As the scientific community continues to explore the applications of 5-Methylpyrazolidin-3-one Hydrochloride, its relevance in cutting-edge research is expected to grow. Whether in drug discovery, material science, or biochemical studies, this compound exemplifies the intersection of chemistry and innovation. Future studies may uncover even more uses, solidifying its place in the toolkit of modern chemists and researchers.

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