Cas no 869901-12-2 (3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole)

3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole is a pyrazole derivative featuring an aminomethyl functional group at the 3-position, a methyl substituent at the 1-position, and a phenyl ring at the 5-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its structural framework allows for further functionalization, making it valuable for constructing heterocyclic compounds with potential biological activity. The presence of both aromatic and amine moieties enhances its reactivity in condensation and coupling reactions. High purity and stability under standard conditions ensure consistent performance in research and industrial applications.
3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole structure
869901-12-2 structure
Product Name:3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole
CAS No:869901-12-2
MF:C11H13N3
MW:187.241021871567
CID:719664
PubChem ID:18525794
Update Time:2025-06-11

3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3-methanamine,1-methyl-5-phenyl-
    • (1-Methyl-5-phenyl-1H-pyrazol-3-yl)methylamine
    • (1-methyl-5-phenylpyrazol-3-yl)methanamine
    • 1-(1-methyl-5-phenyl-1H-pyrazol-3-yl)methanamine
    • (1-methyl-5-phenyl-1H-pyrazol-3-yl)methanamine
    • SCHEMBL3758693
    • 869901-12-2
    • CS-0319305
    • AKOS006344725
    • DTXSID90594549
    • MFCD08271937
    • 3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole
    • MDL: MFCD08271937
    • Inchi: 1S/C11H13N3/c1-14-11(7-10(8-12)13-14)9-5-3-2-4-6-9/h2-7H,8,12H2,1H3
    • InChI Key: QUPQCDFVZUNOJX-UHFFFAOYSA-N
    • SMILES: N1(C)C(=CC(CN)=N1)C1C=CC=CC=1

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: 177
  • 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: 0.8
  • Topological Polar Surface Area: 43.8?2

Experimental Properties

  • Density: 1.14
  • Boiling Point: 341.4°C at 760 mmHg
  • Flash Point: 160.3°C
  • Refractive Index: 1.61
  • PSA: 43.84000
  • LogP: 2.24610

3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole Security Information

  • Hazardous Material Identification: C

3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole 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%

3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole Pricemore >>

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3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole Related Literature

Additional information on 3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole

Introduction to 3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole (CAS No. 869901-12-2)

3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole is a significant compound in the field of pharmaceutical chemistry, characterized by its unique structural and functional properties. This heterocyclic compound, identified by the CAS number 869901-12-2, has garnered attention due to its potential applications in medicinal chemistry and drug development. The molecular structure of this compound consists of a pyrazole core substituted with an aminomethyl group, a methyl group, and a phenyl group, which contribute to its diverse chemical reactivity and biological activity.

The aminomethyl functional group at the 3-position of the pyrazole ring is particularly noteworthy, as it introduces a nucleophilic center that can participate in various chemical transformations. This feature makes 3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole a valuable intermediate in the synthesis of more complex molecules. Additionally, the presence of the methyl and phenyl substituents enhances the compound's lipophilicity and binding affinity, which are critical factors in drug design.

Recent advancements in pharmaceutical research have highlighted the importance of pyrazole derivatives in developing novel therapeutic agents. Pyrazoles are known for their broad spectrum of biological activities, including anti-inflammatory, antimicrobial, and anticancer properties. The specific substitution pattern in 3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole may confer unique pharmacological effects, making it a promising candidate for further investigation.

In vitro studies have demonstrated that this compound exhibits notable interactions with biological targets, suggesting its potential as a lead molecule for drug discovery. The aminomethyl group, in particular, has been shown to facilitate the formation of hydrogen bonds and ionic interactions with biological receptors, enhancing binding affinity. These interactions are crucial for the development of drugs that can effectively modulate biological pathways.

The synthesis of 3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions and transition-metal-catalyzed hydrogenations, have been employed to construct the desired molecular framework efficiently. These synthetic strategies not only improve the accessibility of the compound but also allow for modifications that can enhance its pharmacological properties.

One of the most exciting aspects of 3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole is its versatility in drug design. The combination of the pyrazole core with various substituents provides a scaffold that can be tailored to target specific diseases. For instance, modifications at the 5-position can influence the compound's solubility and metabolic stability, while changes at the 3-position can alter its binding affinity to biological targets. This flexibility makes it an attractive candidate for structure-based drug design approaches.

Current research is exploring the potential applications of this compound in treating neurological disorders. Pyrazole derivatives have shown promise in modulating neurotransmitter systems, which could make them effective against conditions such as Alzheimer's disease and Parkinson's disease. The aminomethyl group in 3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole may play a key role in interacting with neuronal receptors, potentially leading to novel therapeutic strategies.

Another area of interest is the use of this compound in anticancer research. Studies have indicated that pyrazole derivatives can inhibit key enzymes involved in tumor growth and proliferation. The structural features of 3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole, including its lipophilic nature and ability to form stable complexes with biological targets, make it a promising candidate for developing anticancer agents.

The development of new drugs often involves rigorous testing to evaluate their safety and efficacy. Preclinical studies are essential to assess the pharmacokinetic properties, toxicity profiles, and therapeutic potential of compounds like 3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole. These studies provide critical data that guide further development efforts and help ensure that only safe and effective drugs reach clinical trials.

In conclusion, 3-(Aminomethyl)-1-methyl-5-phenyl-1H-pyrazole (CAS No. 869901-12-2) is a versatile compound with significant potential in pharmaceutical research. Its unique structural features and biological activities make it an attractive candidate for developing novel therapeutic agents targeting various diseases. Continued research into this compound will likely uncover new applications and reinforce its importance in drug discovery efforts.

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