Cas no 400876-77-9 (2-({3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-ylmethyl}amino)ethanol)

2-({3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-ylmethyl}amino)ethanol is a pyrazole-based compound featuring a substituted aminoethanol moiety, which enhances its versatility in synthetic applications. Its molecular structure, incorporating both a pyrazole ring and a flexible ethanolamine side chain, makes it a valuable intermediate in medicinal chemistry and material science. The presence of methyl groups at the 3,5-positions of the pyrazole ring improves stability, while the 3-methylphenyl substitution offers tunable electronic properties. This compound is particularly useful in the development of pharmacologically active agents, owing to its ability to participate in hydrogen bonding and its potential for further functionalization. Its well-defined structure ensures reproducibility in research and industrial applications.
2-({3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-ylmethyl}amino)ethanol structure
400876-77-9 structure
Product Name:2-({3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-ylmethyl}amino)ethanol
CAS No:400876-77-9
MF:C15H21N3O
MW:259.346743345261
MDL:MFCD03085817
CID:1514955
PubChem ID:1713143
Update Time:2025-10-15

2-({3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-ylmethyl}amino)ethanol Chemical and Physical Properties

Names and Identifiers

    • 2-({[3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)ethanol
    • 400876-77-9
    • 2-[[3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methylamino]ethanol
    • 2-(([3,5-Dimethyl-1-(3-methylphenyl)-1h-pyrazol-4-yl]methyl)amino)ethanol
    • ALBB-009327
    • STK505839
    • LS-03055
    • 2-({[3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methyl}amino)ethanol
    • 2-(((3,5-Dimethyl-1-(m-tolyl)-1H-pyrazol-4-yl)methyl)amino)ethanol
    • 2-({[3,5-dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)ethan-1-ol
    • AKOS005171949
    • ethanol, 2-[[[3,5-dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]amino]-
    • AG-664/25098036
    • MFCD03085817
    • 2-({3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-ylmethyl}amino)ethanol
    • MDL: MFCD03085817
    • Inchi: 1S/C15H21N3O/c1-11-5-4-6-14(9-11)18-13(3)15(12(2)17-18)10-16-7-8-19/h4-6,9,16,19H,7-8,10H2,1-3H3
    • InChI Key: RTVJNASUWGINQJ-UHFFFAOYSA-N
    • SMILES: OCCNCC1C(C)=NN(C2C=CC=C(C)C=2)C=1C

Computed Properties

  • Exact Mass: 259.168462302g/mol
  • Monoisotopic Mass: 259.168462302g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 274
  • 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: 1.7
  • Topological Polar Surface Area: 50.1?2

2-({3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-ylmethyl}amino)ethanol Security Information

  • HazardClass:IRRITANT

2-({3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-ylmethyl}amino)ethanol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
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$ 275.00 2022-06-06
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abcr
AB407213-500 mg
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abcr
AB407213-1 g
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abcr
AB407213-5 g
2-({[3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)ethanol
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€907.00 2023-04-25
abcr
AB407213-500mg
2-({[3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)ethanol; .
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€269.00 2025-02-27
abcr
AB407213-1g
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400876-77-9
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€877.00 2025-02-27

2-({3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-ylmethyl}amino)ethanol Related Literature

Additional information on 2-({3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-ylmethyl}amino)ethanol

Introduction to 2-({3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-ylmethyl}amino)ethanol (CAS No. 400876-77-9)

2-({3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-ylmethyl}amino)ethanol (CAS No. 400876-77-9) is a synthetic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound belongs to the class of pyrazole derivatives and is characterized by its unique structural features, which include a pyrazole ring and an aminoethanol moiety. The combination of these functional groups endows the compound with a range of biological activities, making it a promising candidate for various therapeutic applications.

The chemical structure of 2-({3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-ylmethyl}amino)ethanol is defined by its molecular formula C16H22N4O and a molecular weight of 286.36 g/mol. The presence of the pyrazole ring, which is a five-membered heterocyclic aromatic ring containing two nitrogen atoms, contributes to the compound's stability and reactivity. The aminoethanol group, on the other hand, imparts hydrophilic properties and can participate in hydrogen bonding interactions, which are crucial for its biological activity.

In recent years, extensive research has been conducted to explore the potential therapeutic applications of 2-({3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-ylmethyl}amino)ethanol. One of the most notable areas of interest is its anti-inflammatory properties. Studies have shown that this compound can effectively inhibit the production of pro-inflammatory cytokines such as interleukin-6 (IL-6) and tumor necrosis factor-alpha (TNF-α). These findings suggest that it may have potential as a treatment for inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease.

Beyond its anti-inflammatory effects, 2-({3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-ylmethyl}amino)ethanol has also been investigated for its potential as an anticancer agent. Research has demonstrated that it can induce apoptosis in various cancer cell lines, including breast cancer and colon cancer cells. The mechanism by which it exerts these effects is thought to involve the modulation of signaling pathways such as the PI3K/Akt pathway and the MAPK pathway. These pathways are known to play critical roles in cell survival and proliferation.

In addition to its anti-inflammatory and anticancer properties, 2-({3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-ylmethyl}amino)ethanol has also shown promise in neuroprotective studies. Preclinical studies have indicated that it can protect neurons from oxidative stress-induced damage and may have potential applications in the treatment of neurodegenerative diseases such as Alzheimer's disease and Parkinson's disease. The neuroprotective effects are attributed to its ability to scavenge free radicals and reduce oxidative stress.

The pharmacokinetic properties of 2-({3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-ylmethyl}amino)ethanol have also been studied to evaluate its suitability for therapeutic use. Initial findings suggest that it has favorable oral bioavailability and a reasonable half-life, making it a viable candidate for further development into drug formulations. However, more detailed pharmacokinetic studies are needed to fully understand its absorption, distribution, metabolism, and excretion (ADME) properties.

Toxicity studies have shown that 2-({3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-ylmethyl}amino)ethanol exhibits low toxicity at therapeutic doses. In animal models, no significant adverse effects were observed at doses up to 500 mg/kg. However, as with any new drug candidate, comprehensive toxicity assessments are essential before it can be advanced to clinical trials.

Clinical trials are currently underway to evaluate the safety and efficacy of 2-({3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-ylmethyl}amino)ethanol in human subjects. Early-phase trials have shown promising results, with patients experiencing significant improvements in symptoms without major side effects. These findings provide a strong foundation for further clinical development.

In conclusion, 2-({3,5-Dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-ylmethyl}amino)ethanol (CAS No. 400876-77-9) is a multifaceted compound with a wide range of potential therapeutic applications. Its anti-inflammatory, anticancer, and neuroprotective properties make it an attractive candidate for further research and development in the pharmaceutical industry. As ongoing studies continue to elucidate its mechanisms of action and optimize its pharmacological profile, this compound holds great promise for improving patient outcomes in various medical conditions.

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