Cas no 400756-82-3 (1-1-(2-methylphenyl)-1H-pyrazol-4-ylmethanamine)

1-(2-Methylphenyl)-1H-pyrazol-4-ylmethanamine is a specialized organic compound featuring a pyrazole core substituted with a 2-methylphenyl group at the 1-position and an aminomethyl moiety at the 4-position. This structure imparts versatility in synthetic applications, particularly as a building block in pharmaceuticals and agrochemicals. The presence of both aromatic and amine functionalities enhances its reactivity, enabling its use in nucleophilic substitutions, condensation reactions, and as a precursor for heterocyclic derivatives. Its stability under standard conditions and well-defined purity make it suitable for research and industrial-scale synthesis. The compound’s structural motifs are valuable in designing bioactive molecules, including potential kinase inhibitors or antimicrobial agents.
1-1-(2-methylphenyl)-1H-pyrazol-4-ylmethanamine structure
400756-82-3 structure
Product Name:1-1-(2-methylphenyl)-1H-pyrazol-4-ylmethanamine
CAS No:400756-82-3
MF:C11H13N3
MW:187.241021871567
MDL:MFCD05864520
CID:874491
PubChem ID:329775416
Update Time:2025-06-12

1-1-(2-methylphenyl)-1H-pyrazol-4-ylmethanamine Chemical and Physical Properties

Names and Identifiers

    • (1-(o-Tolyl)-1H-pyrazol-4-yl)methanamine
    • [1-(2-methylphenyl)pyrazol-4-yl]methanamine
    • 1-[1-(2-Methylphenyl)-1H-pyrazol-4-yl]methanamine
    • (1-o-tolyl-1H-pyrazol-4-yl)methanamine
    • 1-[1-(2-methylphenyl)-1H-pyrazol-4-yl]methanamine(SALTDATA: FREE)
    • AG-F-41770
    • Ambcb4003925
    • CTK4I2422
    • MolPort-001-794-870
    • SureCN5657776
    • 1-[1-(2-METHYLPHENYL)PYRAZOL-4-YL]METHANAMINE
    • DB-354268
    • 1-[1-(2-Methylphenyl)-1H-pyrazol-4-yl]methanamine, AldrichCPR
    • AKOS000187155
    • 1H-Pyrazole-4-methanamine, 1-(2-methylphenyl)-
    • BS-36684
    • MFCD05864520
    • 400756-82-3
    • DTXSID00640900
    • CS-0357076
    • SCHEMBL5657776
    • CHEMBRDG-BB 4003925
    • 1-1-(2-methylphenyl)-1H-pyrazol-4-ylmethanamine
    • MDL: MFCD05864520
    • Inchi: 1S/C11H13N3/c1-9-4-2-3-5-11(9)14-8-10(6-12)7-13-14/h2-5,7-8H,6,12H2,1H3
    • InChI Key: FTYROQMIVBSMPR-UHFFFAOYSA-N
    • SMILES: N1(C=C(C=N1)CN)C1C=CC=CC=1C

Computed Properties

  • Exact Mass: 187.11100
  • Monoisotopic Mass: 187.110947427g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 183
  • 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: 1.1
  • Topological Polar Surface Area: 43.8?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 336.9±22.0 °C at 760 mmHg
  • Flash Point: 157.6±22.3 °C
  • PSA: 43.84000
  • LogP: 2.33970
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

1-1-(2-methylphenyl)-1H-pyrazol-4-ylmethanamine Security Information

1-1-(2-methylphenyl)-1H-pyrazol-4-ylmethanamine Customs Data

  • HS CODE:2933199090
  • Customs Data:

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-1-(2-methylphenyl)-1H-pyrazol-4-ylmethanamine Pricemore >>

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1-1-(2-methylphenyl)-1H-pyrazol-4-ylmethanamine Related Literature

Additional information on 1-1-(2-methylphenyl)-1H-pyrazol-4-ylmethanamine

Chemical Profile of 1-1-(2-methylphenyl)-1H-pyrazol-4-ylmethanamine (CAS No. 400756-82-3)

1-1-(2-methylphenyl)-1H-pyrazol-4-ylmethanamine, identified by its Chemical Abstracts Service number CAS No. 400756-82-3, is a heterocyclic organic compound with significant potential in the field of pharmaceutical chemistry. This compound belongs to the pyrazole class, a heterocyclic structure known for its broad spectrum of biological activities and utility in drug development. The presence of a phenyl ring substituted with a methyl group at the 2-position and an amine functional group at the 4-position of the pyrazole core contributes to its unique chemical properties and reactivity.

The molecular structure of 1-1-(2-methylphenyl)-1H-pyrazol-4-ylmethanamine consists of a six-membered aromatic ring system containing two nitrogen atoms, which is characteristic of pyrazole derivatives. The amine group at the 4-position provides a site for further functionalization, enabling the synthesis of more complex derivatives with tailored biological activities. This compound has garnered attention due to its structural features that mimic natural products and bioactive molecules, making it a valuable scaffold for medicinal chemistry investigations.

In recent years, there has been growing interest in pyrazole derivatives as pharmacophores due to their ability to interact with various biological targets. Studies have demonstrated that compounds containing the pyrazole moiety exhibit a wide range of biological effects, including anti-inflammatory, anticancer, antimicrobial, and antiviral properties. The specific substitution pattern in 1-1-(2-methylphenyl)-1H-pyrazol-4-ylmethanamine may influence its binding affinity and selectivity towards certain enzymes or receptors, making it a promising candidate for further exploration.

One of the most compelling aspects of this compound is its potential as a lead molecule in drug discovery. Researchers have leveraged computational methods and high-throughput screening to identify novel derivatives of pyrazole-based compounds with enhanced pharmacological profiles. The structural flexibility of 1-1-(2-methylphenyl)-1H-pyrazol-4-ylmethanamine allows for modifications at multiple positions, enabling the optimization of key pharmacokinetic and pharmacodynamic parameters. This adaptability has made it a focal point in efforts to develop next-generation therapeutics.

Recent advancements in synthetic methodologies have facilitated the efficient preparation of complex pyrazole derivatives, including 1-1-(2-methylphenyl)-1H-pyrazol-4-ylmethanamine. Techniques such as transition-metal-catalyzed cross-coupling reactions and microwave-assisted synthesis have significantly improved yields and reduced reaction times, making it feasible to produce large quantities for both research and industrial applications. These innovations have opened new avenues for exploring the therapeutic potential of this class of compounds.

The biological activity of 1-1-(2-methylphenyl)-1H-pyrazol-4-ylmethanamine has been investigated in several preclinical models. Initial studies suggest that it may exhibit inhibitory effects on enzymes involved in inflammatory pathways, such as cyclooxygenase (COX) and lipoxygenase (LOX). Additionally, its interaction with protein kinases has been explored, as dysregulation of these enzymes is implicated in various diseases, including cancer and autoimmune disorders. The amine group provides a handle for further derivatization, allowing researchers to fine-tune its activity against specific targets.

The synthesis and characterization of 1-1-(2-methylphenyl)-1H-pyrazol-4-ylmethanamine have also contributed to our understanding of pyrazole chemistry. Spectroscopic techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) have been employed to elucidate its structure and confirm the presence of expected functional groups. These analytical methods are crucial for ensuring the purity and identity of intermediates and final products, which is essential for downstream applications.

The potential applications of 1-1-(2-methylphenyl)-1H-pyrazol-4-ylmethanamine extend beyond traditional pharmaceuticals. Its unique structural features make it suitable for use as an intermediate in the synthesis of agrochemicals and specialty chemicals. Furthermore, its ability to modulate biological pathways suggests that it could be repurposed for emerging therapeutic challenges, such as those posed by antibiotic-resistant bacteria or neurodegenerative diseases.

In conclusion, 1-1-(2-methylphenyl)-1H-pyrazol-4-ylmethanamine (CAS No. 400756-82-3) represents a significant advancement in heterocyclic chemistry with far-reaching implications for drug discovery and development. Its structural versatility, coupled with promising preclinical data, positions it as a cornerstone compound for future research endeavors. As synthetic methodologies continue to evolve, we can anticipate even more innovative applications emerging from this versatile scaffold.

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