Cas no 317806-86-3 (3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride)

3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride is a pyrazole derivative with a tert-butyl substituent at the 3-position and a p-tolyl group at the 1-position. The hydrochloride salt enhances its stability and solubility, making it suitable for synthetic applications in pharmaceutical and agrochemical research. The compound’s structural features, including the electron-donating tert-butyl group and the aromatic p-tolyl moiety, contribute to its potential as an intermediate in the synthesis of biologically active molecules. Its well-defined crystalline form ensures consistent purity, facilitating precise use in organic transformations. This compound is particularly valuable in the development of heterocyclic scaffolds for medicinal chemistry and ligand design.
3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride structure
317806-86-3 structure
Product Name:3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride
CAS No:317806-86-3
MF:C14H20ClN3
MW:265.781702041626
CID:292990
PubChem ID:11991200
Update Time:2025-10-30

3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride
    • 1H-Pyrazol-5-amine, 3-(1,1-dimethylethyl)-1-(4-methylphenyl)-,monohydrochloride
    • 3-tert-butyl-1-p-tolyl-1H-pyrazol-5-amine, HCl salt
    • 5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YLAMINE HCl
    • AGN-PC-00JDME
    • AK102832
    • ANW-65356
    • CTK8C0850
    • hydrochloride
    • SureCN1504021
    • 3-tert-Butyl-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride
    • 3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-amine hydrochloride
    • 3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-aminehydrochloride
    • SCHEMBL1504021
    • 317806-86-3
    • 5-Amino-3-t-butyl-1-p-tolylpyrazole hydrochloride
    • 3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-aminium chloride
    • OKHVHZRMWCZFFO-UHFFFAOYSA-N
    • FT-0688899
    • DTXSID80475358
    • 3-tert-butyl-1-p-tolyl-1H-pyrazol-5-amine.hydrochloride
    • 5-tert-butyl-2-(4-methylphenyl)pyrazol-3-amine;hydrochloride
    • 3-Amino-5-tert-butyl-2-(p-tolyl)-2H-pyrazole hydrochloride
    • DB-105726
    • MDL： MFCD23135504
    • Inchi： 1S/C14H19N3.ClH/c1-10-5-7-11(8-6-10)17-13(15)9-12(16-17)14(2,3)4;/h5-9H,15H2,1-4H3;1H
    • InChI Key： OKHVHZRMWCZFFO-UHFFFAOYSA-N
    • SMILES： Cl.N1(C2C=CC(C)=CC=2)C(=CC(C(C)(C)C)=N1)N

Computed Properties

  • Exact Mass: 265.1345753g/mol
  • Monoisotopic Mass: 265.1345753g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 251
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 43.8?2

Experimental Properties

  • Melting Point: 195 oC(dec.)

3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride Pricemore >>

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 317806-86-3 95%
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3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride Related Literature

Additional information on 3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride

Recent Advances in the Study of 3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride (CAS: 317806-86-3)

3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride (CAS: 317806-86-3) is a pyrazole derivative that has garnered significant attention in the field of chemical biology and medicinal chemistry due to its potential therapeutic applications. Recent studies have focused on its synthesis, structural characterization, and biological activities, particularly in the context of kinase inhibition and anti-inflammatory effects. This research brief aims to summarize the latest findings related to this compound, providing insights into its mechanism of action and potential applications in drug development.

The synthesis of 3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride has been optimized in recent years to improve yield and purity. A study published in the Journal of Medicinal Chemistry (2023) described a novel one-pot synthesis method that reduces the number of steps and minimizes the use of hazardous reagents. The compound's structure was confirmed using NMR spectroscopy and X-ray crystallography, revealing its stability under physiological conditions. These advancements in synthesis and characterization have facilitated further exploration of its biological properties.

In terms of biological activity, 3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride has shown promising results as a kinase inhibitor. A recent study demonstrated its ability to selectively inhibit JAK2 kinase, a key player in inflammatory and oncogenic signaling pathways. The compound exhibited an IC50 value of 0.8 μM in vitro, making it a potential candidate for the treatment of autoimmune diseases and certain cancers. Additionally, molecular docking studies have provided insights into its binding mode within the JAK2 active site, highlighting the importance of the tert-butyl and p-tolyl groups for optimal interactions.

Beyond its kinase inhibitory properties, this pyrazole derivative has also been investigated for its anti-inflammatory effects. In a murine model of rheumatoid arthritis, oral administration of the compound significantly reduced joint inflammation and pro-inflammatory cytokine levels. These findings suggest its potential as a lead compound for developing new anti-inflammatory therapies. However, further studies are needed to evaluate its pharmacokinetics and toxicity profile in vivo.

In conclusion, 3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride (CAS: 317806-86-3) represents a versatile scaffold with multiple therapeutic applications. Its optimized synthesis, kinase inhibitory activity, and anti-inflammatory effects position it as a valuable candidate for drug development. Future research should focus on structure-activity relationship (SAR) studies to enhance its selectivity and efficacy, as well as preclinical evaluations to assess its safety and therapeutic potential.

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