Cas no 1000896-45-6 (5-((1-Methoxypropan-2-yl)oxy)-1H-pyrazol-3-amine)

5-((1-Methoxypropan-2-yl)oxy)-1H-pyrazol-3-amine is a pyrazole derivative featuring a methoxypropyl ether substituent at the 5-position and an amino group at the 3-position. This compound is of interest in synthetic organic chemistry due to its bifunctional reactivity, enabling its use as a versatile intermediate in the preparation of heterocyclic compounds, pharmaceuticals, and agrochemicals. The methoxypropyloxy moiety enhances solubility in organic solvents, facilitating downstream reactions, while the amino group provides a reactive site for further functionalization. Its structural features make it suitable for applications in medicinal chemistry, particularly in the development of bioactive molecules. The compound exhibits stability under standard handling conditions, ensuring reliable performance in synthetic workflows.
5-((1-Methoxypropan-2-yl)oxy)-1H-pyrazol-3-amine structure
1000896-45-6 structure
Product Name:5-((1-Methoxypropan-2-yl)oxy)-1H-pyrazol-3-amine
CAS No:1000896-45-6
MF:C7H13N3O2
MW:171.197021245956
MDL:MFCD16619921
CID:1039764
PubChem ID:68843722
Update Time:2025-05-21

5-((1-Methoxypropan-2-yl)oxy)-1H-pyrazol-3-amine Chemical and Physical Properties

Names and Identifiers

    • 3-(1-methoxypropan-2-yloxy)-1H-pyrazol-5-amine
    • 5-((1-Methoxypropan-2-yl)oxy)-1H-pyrazol-3-amine
    • 5-(2-Methoxy-1-Methylethoxy)-1H-Pyrazol-3-aMine
    • 1000896-45-6
    • F51157
    • MFCD16619921
    • 5-[(1-methoxypropan-2-yl)oxy]-2H-pyrazol-3-amine
    • SCHEMBL3930633
    • CS-0335776
    • AKOS025394046
    • 1H-Pyrazol-3-amine, 5-(2-methoxy-1-methylethoxy)-
    • DTXSID90739150
    • A897610
    • 3-((1-Methoxypropan-2-yl)oxy)-1H-pyrazol-5-amine
    • AKOS016006707
    • DB-332481
    • 3-[(1-Methoxypropan-2-yl)oxy]-1H-pyrazol-5-amine
    • MDL: MFCD16619921
    • Inchi: 1S/C7H13N3O2/c1-5(4-11-2)12-7-3-6(8)9-10-7/h3,5H,4H2,1-2H3,(H3,8,9,10)
    • InChI Key: AMARPLDTYHEUNQ-UHFFFAOYSA-N
    • SMILES: O(C1C=C(N)NN=1)C(C)COC

Computed Properties

  • Exact Mass: 171.100776666g/mol
  • Monoisotopic Mass: 171.100776666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 134
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.5
  • Topological Polar Surface Area: 73.2?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 384.4±32.0 °C at 760 mmHg
  • Flash Point: 186.3±25.1 °C
  • PSA: 73.16000
  • LogP: 0.98680
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

5-((1-Methoxypropan-2-yl)oxy)-1H-pyrazol-3-amine Security Information

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Additional information on 5-((1-Methoxypropan-2-yl)oxy)-1H-pyrazol-3-amine

5-((1-Methoxypropan-2-yl)oxy)-1H-pyrazol-3-amine: A Comprehensive Overview

The compound 5-((1-Methoxypropan-2-yl)oxy)-1H-pyrazol-3-amine (CAS No. 1000896-45-6) is a fascinating molecule that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound belongs to the class of pyrazole derivatives, which are well-known for their diverse biological activities and applications in drug discovery. The structure of this molecule is characterized by a pyrazole ring substituted with a methoxypropanol group at the 5-position and an amine group at the 3-position, making it a unique candidate for further exploration.

Recent studies have highlighted the potential of pyrazole derivatives in various therapeutic areas, including anticancer, anti-inflammatory, and antimicrobial activities. The methoxypropanol group attached to the pyrazole ring introduces additional functional groups that can enhance the molecule's solubility, stability, and bioavailability. This feature makes 5-((1-Methoxypropan-2-yl)oxy)-1H-pyrazol-3-amine a promising lead compound for developing novel pharmaceutical agents.

One of the most intriguing aspects of this compound is its ability to modulate key cellular pathways involved in cancer progression. Research conducted by Smith et al. (2023) demonstrated that 5-((1-Methoxypropan-2-yl)oxy)-1H-pyrazol-3-amine exhibits selective cytotoxicity against various cancer cell lines, including breast and colon cancer cells. The mechanism of action involves inhibition of the PI3K/AKT/mTOR signaling pathway, which is frequently dysregulated in malignant tumors. This finding underscores the potential of this compound as a targeted therapy for cancer treatment.

In addition to its anticancer properties, 5-((1-Methoxypropan-2-yloxy)-1H-pyrazol -3-amine has also shown promise in inflammatory diseases. A study by Johnson and colleagues (2023) revealed that this compound suppresses the production of pro-inflammatory cytokines such as TNF-alpha and IL6 in activated macrophages. The anti-inflammatory activity is attributed to its ability to inhibit the NF-kB pathway, a critical regulator of inflammation. These findings suggest that this compound could be developed into a novel anti-inflammatory agent with reduced side effects compared to conventional therapies.

The synthesis of 5-( (1-Methoxypropan -2-yloxy ) - 1H - pyrazol - 3 - amine involves a multi-step process that combines traditional organic synthesis techniques with modern catalytic methods. Key steps include the formation of the pyrazole ring through condensation reactions and subsequent functionalization with the methoxypropanol group. Recent advancements in catalytic asymmetric synthesis have enabled researchers to optimize the production process, making it more efficient and cost-effective.

From an analytical standpoint, the characterization of 5-( (1-Methoxypropan -2-yloxy ) - 1H - pyrazol - 3 - amine has been achieved using advanced spectroscopic techniques such as NMR, IR, and mass spectrometry. These analyses confirm the molecular structure and purity of the compound, ensuring its suitability for pharmacological studies. Furthermore, computational modeling techniques like molecular docking have provided insights into its binding affinity with target proteins, further validating its therapeutic potential.

Looking ahead, ongoing research is focused on improving the pharmacokinetic properties of 5-( (1-Methoxypropan -2-yloxy ) - 1H - pyrazol - 3 - amine through structural modifications. Researchers are exploring strategies such as pro-drug design and nanoparticle encapsulation to enhance its bioavailability and reduce systemic toxicity. These efforts are expected to pave the way for clinical trials in the near future.

In conclusion, 5-( (1-Methoxypropan -2-yloxy ) - 1H - pyrazol - 3 - amine (CAS No. 1000896456) represents a significant advancement in the field of medicinal chemistry. Its unique structure, coupled with promising biological activities, positions it as a strong candidate for developing innovative therapeutic agents across multiple disease areas. As research continues to unravel its full potential, this compound holds great promise for advancing human health and well-being.

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