Cas no 1006458-47-4 (2-(4-Methyl-1H-pyrazol-1-yl)ethylamine Dihydrochloride)

2-(4-Methyl-1H-pyrazol-1-yl)ethylamine Dihydrochloride is a chemically stable, high-purity compound primarily used as a versatile intermediate in pharmaceutical and organic synthesis. Its dihydrochloride salt form enhances solubility and handling properties, making it suitable for aqueous reaction conditions. The presence of the pyrazole moiety offers reactivity for heterocyclic modifications, while the ethylamine backbone facilitates further functionalization. This compound is particularly valuable in the development of bioactive molecules, including potential therapeutic agents. Its well-defined structure and consistent quality ensure reproducibility in research and industrial applications. Proper storage under anhydrous conditions is recommended to maintain stability.
2-(4-Methyl-1H-pyrazol-1-yl)ethylamine Dihydrochloride structure
1006458-47-4 structure
Product Name:2-(4-Methyl-1H-pyrazol-1-yl)ethylamine Dihydrochloride
CAS No:1006458-47-4
MF:C6H11N3
MW:125.171640634537
MDL:MFCD04967725
CID:1073785
PubChem ID:19616598
Update Time:2025-06-08

2-(4-Methyl-1H-pyrazol-1-yl)ethylamine Dihydrochloride Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Methyl-1H-pyrazol-1-yl)ethanamine
    • [2-(4-Methyl-1H-pyrazol-1-yl)ethyl]amine
    • 2-(4-methyl-pyrazol-1-yl)-ethylamine
    • 2-(4-methylpyrazolyl)ethylamine
    • AG-B-86553
    • CTK6C3407
    • SBB021469
    • STK349345
    • SureCN1788854
    • 2-(4-methylpyrazol-1-yl)ethylamine
    • 2-(4-methylpyrazol-1-yl)ethanamine
    • 2-(4-methyl-1-pyrazolyl)ethanamine
    • 2-(4-methyl-1H-pyrazol-1-yl)ethanamine(SALTDATA
    • 2-(4-methyl-1H-pyrazol-1-yl)ethanamine(SALTDATA: 2HCl)
    • 2-(4-METHYL-1H-PYRAZOL-1-YL)-1-ETHANAMINE
    • 1006458-47-4
    • Z600430704
    • AKOS000306588
    • MFCD04967725
    • DTXSID00599101
    • G22336
    • 2-(4-Methyl-1H-pyrazol-1-yl)ethan-1-amine
    • CS-0217214
    • SCHEMBL1788854
    • EN300-71140
    • 2-(4-methyl-1H-pyrazol-1-yl)ethanamine hydrochloride
    • ALBB-014651
    • 2-(4-Methyl-1H-pyrazol-1-yl)ethylamine Dihydrochloride
    • MDL: MFCD04967725
    • Inchi: 1S/C6H11N3/c1-6-4-8-9(5-6)3-2-7/h4-5H,2-3,7H2,1H3
    • InChI Key: NCMDCWBSYIDNHM-UHFFFAOYSA-N
    • SMILES: N1(C=C(C)C=N1)CCN

Computed Properties

  • Exact Mass: 125.095297364g/mol
  • Monoisotopic Mass: 125.095297364g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 84.4
  • 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: 43.8?2

2-(4-Methyl-1H-pyrazol-1-yl)ethylamine Dihydrochloride Security Information

  • HazardClass:IRRITANT

2-(4-Methyl-1H-pyrazol-1-yl)ethylamine Dihydrochloride Pricemore >>

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Additional information on 2-(4-Methyl-1H-pyrazol-1-yl)ethylamine Dihydrochloride

Introduction to 2-(4-Methyl-1H-pyrazol-1-yl)ethylamine Dihydrochloride (CAS No. 1006458-47-4)

2-(4-Methyl-1H-pyrazol-1-yl)ethylamine Dihydrochloride, identified by the Chemical Abstracts Service Number (CAS No.) 1006458-47-4, is a compound of significant interest in the field of pharmaceutical chemistry and drug discovery. This compound belongs to the pyrazole derivatives, a class of heterocyclic compounds known for their broad spectrum of biological activities. The structural motif of pyrazole, characterized by a five-membered ring containing two nitrogen atoms, makes it a versatile scaffold for medicinal chemistry applications. The presence of a methyl group at the 4-position and an ethylamine substituent at the 2-position further enhances its pharmacological potential.

The dihydrochloride salt form of this compound is particularly relevant in pharmaceutical formulations due to its improved solubility and stability, which are critical factors for drug development. The hydrochloride moiety not only enhances the compound's solubility in aqueous solutions but also contributes to its bioavailability, making it a suitable candidate for further pharmacokinetic studies.

In recent years, pyrazole derivatives have garnered considerable attention in the scientific community due to their diverse biological activities. These compounds have been investigated for their potential applications in various therapeutic areas, including anti-inflammatory, anticancer, antimicrobial, and antiviral treatments. The unique structural features of 2-(4-Methyl-1H-pyrazol-1-yl)ethylamine Dihydrochloride make it an attractive candidate for further exploration in these domains.

One of the most compelling aspects of this compound is its ability to interact with biological targets through multiple mechanisms. The pyrazole ring can engage in hydrogen bonding interactions due to the presence of nitrogen atoms, while the ethylamine side chain provides a hydrophobic surface that can interact with lipid moieties in biological membranes. This dual functionality makes it a promising candidate for designing drugs that require both hydrophilic and hydrophobic interactions with biological targets.

Recent studies have highlighted the potential of 2-(4-Methyl-1H-pyrazol-1-yl)ethylamine Dihydrochloride as an intermediate in the synthesis of more complex pharmacophores. Researchers have utilized this compound to develop novel molecules with enhanced binding affinity and selectivity towards specific biological targets. For instance, modifications of the methyl group at the 4-position and the ethylamine substituent at the 2-position have been explored to optimize pharmacokinetic properties such as metabolic stability and oral bioavailability.

The compound's structural similarity to known bioactive molecules has also facilitated its use in structure-based drug design. By leveraging computational methods such as molecular docking and homology modeling, researchers can predict how 2-(4-Methyl-1H-pyrazol-1-yl)ethylamine Dihydrochloride interacts with target proteins. These insights can guide the development of more potent and selective drugs by identifying key residues involved in binding and optimizing interactions through rational molecular design.

Moreover, the dihydrochloride salt form has been shown to improve the compound's pharmacokinetic profile, making it a more viable candidate for clinical development. Solubility is a critical factor in drug formulation, as it directly impacts bioavailability and therapeutic efficacy. The enhanced solubility provided by the dihydrochloride salt allows for easier administration and potentially higher therapeutic concentrations in vivo.

In conclusion, 2-(4-Methyl-1H-pyrazol-1-yl)ethylamine Dihydrochloride (CAS No. 1006458-47-4) represents a promising compound in pharmaceutical research due to its unique structural features and potential biological activities. Its versatility as a scaffold for drug design, coupled with its improved solubility and stability in its dihydrochloride form, makes it an attractive candidate for further investigation. As research continues to uncover new applications for pyrazole derivatives, compounds like this are poised to play a significant role in the development of next-generation therapeutics.

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