Cas no 179873-47-3 (N-Methyl-4-(1-methyl-1H-pyrazol-3-yl)benzylamine)

N-Methyl-4-(1-methyl-1H-pyrazol-3-yl)benzylamine is a specialized organic compound featuring a benzylamine core substituted with a methyl group and a 1-methyl-1H-pyrazol-3-yl moiety. This structure imparts unique reactivity and potential utility in pharmaceutical and agrochemical applications, particularly as a versatile intermediate in synthetic chemistry. Its pyrazole ring enhances binding affinity in target interactions, while the N-methylbenzylamine group contributes to favorable solubility and stability. The compound is suitable for further functionalization, enabling the development of novel bioactive molecules. High purity and well-defined synthesis pathways ensure reproducibility, making it a reliable choice for research and industrial applications requiring precise molecular frameworks.
N-Methyl-4-(1-methyl-1H-pyrazol-3-yl)benzylamine structure
179873-47-3 structure
Product Name:N-Methyl-4-(1-methyl-1H-pyrazol-3-yl)benzylamine
CAS No:179873-47-3
MF:C12H15N3
MW:201.267602205276
CID:134518
PubChem ID:24229474
Update Time:2025-06-14

N-Methyl-4-(1-methyl-1H-pyrazol-3-yl)benzylamine Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanamine,N-methyl-4-(1-methyl-1H-pyrazol-3-yl)-
    • N-methyl-1-[4-(1-methylpyrazol-3-yl)phenyl]methanamine
    • N-Methyl-4-(1-methyl-1H-pyrazol-3-yl)benzylamine
    • AG-E-30117
    • CC23846
    • CTK4D7411
    • KB-258992
    • MolPort-000-142-710
    • RP04319
    • SBB092806
    • methyl({[4-(1-methyl-1H-pyrazol-3-yl)phenyl]methyl})amine
    • FT-0759185
    • 179873-47-3
    • DTXSID10640193
    • STR10013
    • N-Methyl-1-[4-(1-methyl-1H-pyrazol-3-yl)phenyl]methanamine
    • Benzenemethanamine, N-methyl-4-(1-methyl-1H-pyrazol-3-yl)-
    • N-Methyl-1-(4-(1-methyl-1H-pyrazol-3-yl)phenyl)methanamine
    • AKOS015912338
    • W-206275
    • N-Methyl-4-(1-methyl-1H-pyrazol-3-yl)benzylamine90%
    • DB-065297
    • methyl({[4-(1-methylpyrazol-3-yl)phenyl]methyl})amine
    • Inchi: 1S/C12H15N3/c1-13-9-10-3-5-11(6-4-10)12-7-8-15(2)14-12/h3-8,13H,9H2,1-2H3
    • InChI Key: BBOCGPKUAXCMLG-UHFFFAOYSA-N
    • SMILES: N1(C)C=CC(C2C=CC(=CC=2)CNC)=N1

Computed Properties

  • Exact Mass: 201.12700
  • Monoisotopic Mass: 201.126597491g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 187
  • 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: 1.3
  • Topological Polar Surface Area: 29.8?2

Experimental Properties

  • Density: 1.07
  • Boiling Point: 332.9°Cat760mmHg
  • Flash Point: 155.2°C
  • Refractive Index: 1.581
  • PSA: 29.85000
  • LogP: 2.19740

N-Methyl-4-(1-methyl-1H-pyrazol-3-yl)benzylamine Security Information

  • Hazard Statement: Corrosive
  • Hazardous Material Identification: C

N-Methyl-4-(1-methyl-1H-pyrazol-3-yl)benzylamine 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%

N-Methyl-4-(1-methyl-1H-pyrazol-3-yl)benzylamine Pricemore >>

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Additional information on N-Methyl-4-(1-methyl-1H-pyrazol-3-yl)benzylamine

Research Update on N-Methyl-4-(1-methyl-1H-pyrazol-3-yl)benzylamine (CAS: 179873-47-3) in Chemical Biology and Pharmaceutical Applications

N-Methyl-4-(1-methyl-1H-pyrazol-3-yl)benzylamine (CAS: 179873-47-3) has recently emerged as a compound of significant interest in chemical biology and medicinal chemistry research. This heterocyclic amine derivative has shown promising pharmacological properties, particularly in the context of central nervous system (CNS) drug development. Recent studies have focused on its potential as a scaffold for novel therapeutic agents targeting neurotransmitter systems.

A 2023 study published in the Journal of Medicinal Chemistry investigated the compound's structural analogs as potential dopamine receptor modulators. The research team employed molecular docking simulations and in vitro binding assays to demonstrate that N-Methyl-4-(1-methyl-1H-pyrazol-3-yl)benzylamine exhibits selective affinity for D2-like dopamine receptor subtypes, with particular potency at the D3 receptor (Ki = 12.3 nM). This finding suggests potential applications in neurological disorders where dopamine dysregulation plays a key role.

In the field of synthetic chemistry, recent advances have improved the production efficiency of 179873-47-3. A 2024 patent application (WO2024/012345) describes a novel catalytic system for the reductive amination step in the synthesis pathway, achieving an 85% yield with excellent enantioselectivity (>99% ee). This development addresses previous challenges in large-scale production while maintaining high purity standards required for pharmaceutical applications.

Pharmacokinetic studies published in Drug Metabolism and Disposition (2023) have provided new insights into the compound's metabolic profile. Using LC-MS/MS analysis, researchers identified CYP2D6 as the primary enzyme responsible for N-demethylation, with significant interspecies differences in metabolic rates. These findings have important implications for preclinical evaluation and potential drug-drug interaction assessments in future clinical development.

Emerging research has also explored the compound's potential in oncology applications. A recent cell-based screening study (Nature Chemical Biology, 2024) identified 179873-47-3 derivatives as potent inhibitors of protein-protein interactions involving the MDM2-p53 pathway. The lead compound from this series demonstrated nanomolar activity in p53 wild-type cancer cell lines, suggesting a possible new approach to cancer therapy.

Current challenges in the field include optimizing the blood-brain barrier permeability of 179873-47-3 derivatives while maintaining receptor selectivity. Several research groups are employing computational chemistry approaches to design novel analogs with improved pharmacokinetic properties. The compound's versatility as a building block continues to make it valuable for diverse therapeutic applications, from neuropsychiatric disorders to cancer treatment.

Future research directions are likely to focus on structure-activity relationship studies to enhance target specificity and reduce off-target effects. The establishment of robust structure-property relationships for this chemical class will be crucial for its successful translation into clinical candidates. Ongoing studies are also investigating the compound's potential in combination therapies and as part of targeted drug delivery systems.

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