Cas no 537039-17-1 (5-(4-Methylpiperazin-1-yl)-1H-pyrazol-3-amine)

5-(4-Methylpiperazin-1-yl)-1H-pyrazol-3-amine is a heterocyclic compound featuring a pyrazole core substituted with an amine group and a 4-methylpiperazine moiety. This structure imparts versatility in pharmaceutical and agrochemical applications, particularly as a key intermediate in the synthesis of biologically active molecules. The presence of both amine and piperazine functional groups enhances its reactivity, enabling selective modifications for targeted drug development. Its well-defined chemical properties and stability under standard conditions make it suitable for research in medicinal chemistry. The compound’s balanced lipophilicity and electronic effects contribute to its utility in designing ligands for receptor-binding studies or enzyme inhibition.
5-(4-Methylpiperazin-1-yl)-1H-pyrazol-3-amine structure
537039-17-1 structure
Product Name:5-(4-Methylpiperazin-1-yl)-1H-pyrazol-3-amine
CAS No:537039-17-1
MF:C8H15N5
MW:181.238200426102
CID:839024
PubChem ID:45099798
Update Time:2025-05-22

5-(4-Methylpiperazin-1-yl)-1H-pyrazol-3-amine Chemical and Physical Properties

Names and Identifiers

    • 5-(4-Methylpiperazin-1-yl)-1H-pyrazol-3-amine
    • 1H-Pyrazol-3-amine,5-(4-methyl-1-piperazinyl)-(9CI)
    • 3-(4-methylpiperazin-1-yl)-1H-pyrazol-5-amine
    • MFCD17392875
    • AKOS022184304
    • DB-107122
    • 5-(4-methylpiperazin-1-yl)-1H-pyrazol-3-amine dihydrochloroide
    • CS-0188353
    • 1H-Pyrazol-3-amine,5-(4-methyl-1-piperazinyl)-
    • AT18284
    • BS-17542
    • SY290469
    • 3-Amino-5-(4-methyl-1-piperazinyl)pyrazole
    • SCHEMBL922677
    • 537039-17-1
    • DTXSID30668132
    • BAUIMKSJWJHSBP-UHFFFAOYSA-N
    • 5-(4-Methyl-piperazin-1-yl)-2H-pyrazol-3-ylamine
    • Inchi: 1S/C8H15N5/c1-12-2-4-13(5-3-12)8-6-7(9)10-11-8/h6H,2-5H2,1H3,(H3,9,10,11)
    • InChI Key: BAUIMKSJWJHSBP-UHFFFAOYSA-N
    • SMILES: N1(C2C=C(N)NN=2)CCN(C)CC1

Computed Properties

  • Exact Mass: 181.13274550g/mol
  • Monoisotopic Mass: 181.13274550g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 166
  • 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: 0.1
  • Topological Polar Surface Area: 61.2?2

Experimental Properties

  • Density: 1.236

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Additional information on 5-(4-Methylpiperazin-1-yl)-1H-pyrazol-3-amine

Comprehensive Overview of 5-(4-Methylpiperazin-1-yl)-1H-pyrazol-3-amine (CAS No. 537039-17-1)

5-(4-Methylpiperazin-1-yl)-1H-pyrazol-3-amine, with the CAS number 537039-17-1, is a specialized organic compound that has garnered significant attention in pharmaceutical and biochemical research. This compound belongs to the class of heterocyclic amines, featuring a pyrazole core substituted with a 4-methylpiperazine moiety. Its unique structural attributes make it a valuable intermediate in the synthesis of bioactive molecules, particularly in the development of kinase inhibitors and receptor modulators.

The growing interest in 5-(4-Methylpiperazin-1-yl)-1H-pyrazol-3-amine is driven by its potential applications in drug discovery. Researchers are actively exploring its role in targeting protein-protein interactions and signal transduction pathways, which are critical in diseases such as cancer and inflammatory disorders. The compound's amine functionality and piperazine ring contribute to its ability to form stable interactions with biological targets, enhancing its utility in medicinal chemistry.

In recent years, the demand for high-purity heterocyclic compounds like 5-(4-Methylpiperazin-1-yl)-1H-pyrazol-3-amine has surged, particularly in the context of precision medicine and personalized therapeutics. This trend aligns with the broader shift toward targeted drug delivery systems and small-molecule therapeutics. The compound's CAS No. 537039-17-1 is frequently searched in academic and industrial databases, reflecting its relevance in contemporary research.

From a synthetic perspective, 5-(4-Methylpiperazin-1-yl)-1H-pyrazol-3-amine is often prepared via nucleophilic substitution reactions or catalytic coupling methodologies. Its pyrazole-amine scaffold is amenable to further derivatization, enabling the creation of diverse analogs with tailored properties. This flexibility has made it a focal point in structure-activity relationship (SAR) studies, where researchers aim to optimize pharmacokinetic profiles and binding affinities.

The compound's physicochemical properties, such as solubility and stability, are also of interest to formulators and process chemists. Its logP value and hydrogen-bonding capacity influence its behavior in biological systems, making it a subject of ADME (Absorption, Distribution, Metabolism, and Excretion) studies. These factors are critical for ensuring bioavailability and therapeutic efficacy in preclinical and clinical settings.

In the context of green chemistry, efforts are underway to develop more sustainable synthetic routes for 5-(4-Methylpiperazin-1-yl)-1H-pyrazol-3-amine. Researchers are exploring catalyst-free reactions and solvent-free conditions to minimize environmental impact. This aligns with the broader industry focus on eco-friendly synthesis and reduced waste generation.

As the scientific community continues to investigate 5-(4-Methylpiperazin-1-yl)-1H-pyrazol-3-amine, its potential extends beyond traditional drug development. Emerging applications include its use in chemical biology probes and diagnostic tools, where its selective binding properties can be leveraged for imaging and detection purposes. The compound's versatility underscores its importance in both basic research and applied sciences.

In summary, 5-(4-Methylpiperazin-1-yl)-1H-pyrazol-3-amine (CAS No. 537039-17-1) represents a promising scaffold with multifaceted applications in modern science. Its integration into drug discovery pipelines and biochemical assays highlights its enduring value. As research progresses, this compound is poised to play a pivotal role in advancing therapeutic innovations and scientific understanding.

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