Cas no 1184394-32-8 (4-bromo-1-(2-methylpropyl)-1H-pyrazole)

4-Bromo-1-(2-methylpropyl)-1H-pyrazole is a brominated pyrazole derivative featuring a 2-methylpropyl substituent at the nitrogen position. This compound is primarily utilized as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and functional materials. Its bromine moiety offers a reactive site for further functionalization via cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings. The 2-methylpropyl group enhances lipophilicity, which can be advantageous in modifying physicochemical properties of target molecules. The compound exhibits good stability under standard conditions, facilitating handling and storage. Its well-defined structure and reactivity make it a valuable building block for constructing complex heterocyclic systems in medicinal chemistry and material science applications.
4-bromo-1-(2-methylpropyl)-1H-pyrazole structure
1184394-32-8 structure
Product Name:4-bromo-1-(2-methylpropyl)-1H-pyrazole
CAS No:1184394-32-8
MF:C7H11BrN2
MW:203.079640626907
MDL:MFCD11520678
CID:1083419
PubChem ID:51892115
Update Time:2025-05-20

4-bromo-1-(2-methylpropyl)-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-1-isobutyl-1H-pyrazole
    • 4-Bromo-1-(2-methylpropyl)-1H-pyrazole
    • 4-bromo-1-(2-methylpropyl)pyrazole
    • 4-BroMo-1-isobutylpyrazole
    • MFCD11520678
    • AKOS010258685
    • DB-099815
    • A893168
    • F8882-3870
    • AS-60255
    • DTXSID40680209
    • 1184394-32-8
    • SCHEMBL16912027
    • 4-Bromo-1-isobutylpyrazole, 97%
    • CS-0195440
    • EN300-87116
    • D86796
    • 4-bromo-1-(2-methylpropyl)-1H-pyrazole
    • MDL： MFCD11520678
    • Inchi： 1S/C7H11BrN2/c1-6(2)4-10-5-7(8)3-9-10/h3,5-6H,4H2,1-2H3
    • InChI Key： HDXYNFLYDLDONH-UHFFFAOYSA-N
    • SMILES： BrC1C=NN(C=1)CC(C)C

Computed Properties

  • Exact Mass: 202.01100
  • Monoisotopic Mass: 202.01056g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 106
  • 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: 2.2
  • Topological Polar Surface Area: 17.8?2

Experimental Properties

  • Density: 1.332?g/mL?at 25?°C
  • Flash Point: Degrees Fahrenheit:217.4°F
    Degrees Celsius:103°C
  • PSA: 17.82000
  • LogP: 2.30160

4-bromo-1-(2-methylpropyl)-1H-pyrazole Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H302-H315-H335
  • Warning Statement： P261
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：2
  • Hazard Category Code： 22-37/38
  • Safety Instruction： 26-39
  • Hazardous Material Identification： Xn

4-bromo-1-(2-methylpropyl)-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%

4-bromo-1-(2-methylpropyl)-1H-pyrazole Pricemore >>

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4-bromo-1-(2-methylpropyl)-1H-pyrazole Related Literature

Related Categories

Additional information on 4-bromo-1-(2-methylpropyl)-1H-pyrazole

Recent Advances in the Study of 4-bromo-1-(2-methylpropyl)-1H-pyrazole (CAS: 1184394-32-8) in Chemical Biology and Pharmaceutical Research

The compound 4-bromo-1-(2-methylpropyl)-1H-pyrazole (CAS: 1184394-32-8) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This heterocyclic compound, characterized by its pyrazole core substituted with a bromine atom and an isobutyl group, has shown promising potential in various therapeutic applications. Recent studies have explored its role as a key intermediate in the synthesis of bioactive molecules and its direct pharmacological properties, particularly in the modulation of enzymatic activity and receptor binding.

One of the most notable advancements in the study of this compound is its application in the development of kinase inhibitors. Kinases play a critical role in cellular signaling pathways, and their dysregulation is often associated with diseases such as cancer and inflammatory disorders. Researchers have demonstrated that 4-bromo-1-(2-methylpropyl)-1H-pyrazole can serve as a versatile scaffold for the design of selective kinase inhibitors. For instance, a 2023 study published in the Journal of Medicinal Chemistry highlighted its use in the synthesis of novel inhibitors targeting the JAK-STAT pathway, which is implicated in autoimmune diseases and hematologic malignancies.

In addition to its role in kinase inhibition, this compound has also been investigated for its potential in antimicrobial therapy. A recent study in Bioorganic & Medicinal Chemistry Letters reported that derivatives of 4-bromo-1-(2-methylpropyl)-1H-pyrazole exhibit potent activity against drug-resistant bacterial strains, including methicillin-resistant Staphylococcus aureus (MRSA). The study attributed this activity to the compound's ability to disrupt bacterial cell wall synthesis, suggesting its potential as a lead compound for the development of new antibiotics.

Furthermore, the pharmacokinetic properties of 4-bromo-1-(2-methylpropyl)-1H-pyrazole have been a subject of recent research. A 2024 study published in Drug Metabolism and Disposition explored the compound's metabolic stability and bioavailability, providing valuable insights into its potential for clinical development. The study found that the compound exhibits favorable metabolic stability in human liver microsomes, with a half-life exceeding 120 minutes, making it a promising candidate for further optimization.

In conclusion, the growing body of research on 4-bromo-1-(2-methylpropyl)-1H-pyrazole (CAS: 1184394-32-8) underscores its versatility and potential in chemical biology and pharmaceutical applications. From its role as a scaffold for kinase inhibitors to its antimicrobial properties and favorable pharmacokinetic profile, this compound continues to be a focal point of innovative research. Future studies are expected to further elucidate its mechanisms of action and explore its therapeutic potential in diverse disease contexts.

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