Cas no 3524-29-6 (1-{4-(propan-2-yl)phenylmethyl}-1H-pyrazol-5-amine)

1-{4-(Propan-2-yl)phenylmethyl}-1H-pyrazol-5-amine is a pyrazole derivative with potential applications in pharmaceutical and agrochemical research. Its structure features a substituted phenylmethyl group and an amine functionality at the 5-position of the pyrazole ring, offering versatility for further chemical modifications. The compound may serve as a key intermediate in the synthesis of biologically active molecules, particularly in the development of receptor-targeted agents or enzyme inhibitors. Its stability and reactivity profile make it suitable for use in controlled synthetic pathways. Further studies are required to fully elucidate its pharmacological or agrochemical properties, but its structural features suggest utility in medicinal chemistry and crop protection research.
1-{4-(propan-2-yl)phenylmethyl}-1H-pyrazol-5-amine structure
3524-29-6 structure
Product Name:1-{4-(propan-2-yl)phenylmethyl}-1H-pyrazol-5-amine
CAS No:3524-29-6
MF:C13H17N3
MW:215.294182538986
CID:316812
PubChem ID:4962346
Update Time:2025-11-06

1-{4-(propan-2-yl)phenylmethyl}-1H-pyrazol-5-amine Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazol-5-amine,1-[[4-(1-methylethyl)phenyl]methyl]-
    • 1-(4-isopropylbenzyl)-1H-pyrazol-5-amine
    • 2-(4-isopropyl-benzyl)-2H-pyrazol-3-ylamine
    • 2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine
    • 1-(4-Isopropylbenzyl)-5-amino-pyrazol
    • 2-(4-isopropylbenzyl)-2H-pyrazol-3-ylamine
    • AC1NLQHV
    • AC1Q1ONS
    • AG-F-21572
    • CTK4H4008
    • SureCN1491055
    • J-503377
    • SR-01000051643-1
    • EN300-13294
    • 1-(4-Propan-2-ylbenzyl)-1h-pyrazol-5-amine
    • SR-01000051643
    • SCHEMBL1491055
    • Z90122373
    • 1-{[4-(propan-2-yl)phenyl]methyl}-1H-pyrazol-5-amine
    • 3524-29-6
    • DTXSID30407068
    • AKOS000263256
    • G76239
    • 2-[(4-ISOPROPYLPHENYL)METHYL]PYRAZOL-3-AMINE
    • 1-{4-(propan-2-yl)phenylmethyl}-1H-pyrazol-5-amine
    • MDL: MFCD06655773
    • Inchi: 1S/C13H17N3/c1-10(2)12-5-3-11(4-6-12)9-16-13(14)7-8-15-16/h3-8,10H,9,14H2,1-2H3
    • InChI Key: YXUMURJAITZODM-UHFFFAOYSA-N
    • SMILES: N1(C(=CC=N1)N)CC1C=CC(=CC=1)C(C)C

Computed Properties

  • Exact Mass: 215.14241
  • Monoisotopic Mass: 215.142248
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 209
  • 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
  • Topological Polar Surface Area: 43.8
  • XLogP3: 2.6

Experimental Properties

  • Density: 1.1
  • Melting Point: 16-18 °C
  • Boiling Point: 390.7°C at 760 mmHg
  • Flash Point: 190.1°C
  • Refractive Index: 1.589
  • PSA: 43.84
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

1-{4-(propan-2-yl)phenylmethyl}-1H-pyrazol-5-amine Security Information

1-{4-(propan-2-yl)phenylmethyl}-1H-pyrazol-5-amine Pricemore >>

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Additional information on 1-{4-(propan-2-yl)phenylmethyl}-1H-pyrazol-5-amine

Introduction to 1-{4-(propan-2-yl)phenylmethyl}-1H-pyrazol-5-amine (CAS No. 3524-29-6)

1-{4-(propan-2-yl)phenylmethyl}-1H-pyrazol-5-amine, identified by its CAS number 3524-29-6, is a significant compound in the realm of pharmaceutical chemistry and medicinal research. This heterocyclic amine derivative has garnered attention due to its structural complexity and potential biological activities, making it a subject of extensive study in drug discovery and development.

The molecular structure of 1-{4-(propan-2-yl)phenylmethyl}-1H-pyrazol-5-amine consists of a pyrazole core substituted with an amine group at the 5-position and an isopropylphenylmethyl side chain at the 1-position. This unique arrangement imparts distinct chemical and pharmacological properties, which have been explored in various preclinical and clinical studies. The compound's ability to interact with biological targets has positioned it as a promising candidate for therapeutic applications.

In recent years, there has been a surge in research focusing on pyrazole derivatives due to their versatility and efficacy in modulating biological pathways. Pyrazoles are known for their role as scaffolds in drug design, offering a balance between structural flexibility and biological activity. The presence of the isopropylphenylmethyl group in 1-{4-(propan-2-yl)phenylmethyl}-1H-pyrazol-5-amine enhances its binding affinity to certain enzymes and receptors, making it a valuable tool in pharmacological investigations.

One of the most compelling aspects of this compound is its potential application in the treatment of neurological disorders. Studies have demonstrated that pyrazole derivatives can interact with neurotransmitter systems, potentially offering therapeutic benefits in conditions such as depression, anxiety, and neurodegenerative diseases. The amine functionality at the 5-position of the pyrazole ring allows for further derivatization, enabling the synthesis of analogs with enhanced pharmacological profiles.

Furthermore, the isopropylphenylmethyl moiety has been shown to influence the metabolic stability and bioavailability of pharmaceutical compounds. This feature makes 1-{4-(propan-2-yl)phenylmethyl}-1H-pyrazol-5-amine an attractive candidate for drug development, as it can be optimized to meet specific pharmacokinetic requirements. Researchers have leveraged this compound in studies aimed at identifying novel inhibitors of enzymes involved in metabolic pathways, highlighting its importance in drug discovery.

The synthesis of 1-{4-(propan-2-yl)phenylmethyl}-1H-pyrazol-5-amine involves multi-step organic reactions that require precise control over reaction conditions. The introduction of the pyrazole ring is typically achieved through condensation reactions, while the attachment of the isopropylphenylmethyl group often involves Grignard reactions or other coupling techniques. These synthetic methodologies ensure high yields and purity, which are crucial for downstream applications.

Recent advancements in computational chemistry have further enhanced the study of 1-{4-(propan-2-yl)phenylmethyl}-1H-pyrazol-5-amine. Molecular modeling techniques allow researchers to predict binding interactions between this compound and biological targets with remarkable accuracy. This approach has accelerated the drug discovery process by enabling virtual screening of potential candidates before experimental validation.

The pharmacological evaluation of 1-{4-(propan-2-yl)phenylmethyl}-1H-pyrazol-5-amine has revealed several promising activities. In vitro studies have shown that it can modulate enzymes such as cytochrome P450 isoforms, which play a critical role in drug metabolism. Additionally, its interaction with receptors like serotonin and dopamine receptors suggests potential applications in central nervous system disorders.

Preclinical studies have also explored the toxicological profile of this compound, providing insights into its safety margins and potential side effects. These investigations are essential for advancing into clinical trials, where further evaluation of its therapeutic efficacy will be conducted. The results from these studies will determine whether 1-{4-(propan-2-yl)phenylmethyl}-1H-pyrazol-5-amine can progress to human testing for various medical conditions.

The versatility of 1-{4-(propan-2-yl)phenylmethyl}-1H-pyrazol-5-amine extends beyond its direct therapeutic applications. It serves as a valuable intermediate in the synthesis of more complex molecules, allowing chemists to explore novel chemical space for drug development. This adaptability underscores its importance as a building block in medicinal chemistry.

In conclusion, 1-{4-(propan-2-yi)phenylethymethy}l - 11 H - pyra z ol - 5 - am ine (CAS No . 3524 - 29 - 6) is a multifaceted compound with significant potential in pharmaceutical research . Its unique structure , coupled with its demonstrated biological activities , makes it a compelling subject for further investigation . As research continues to uncover new therapeutic applications , this compound is poised to play a crucial role in the development of next-generation pharmaceuticals . p >

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