Cas no 128537-49-5 (4-Chloro-1-methyl-3-propyl-1H-pyrazole-5-carboxylicacid)

4-Chloro-1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid is a heterocyclic compound featuring a pyrazole core substituted with chloro, methyl, propyl, and carboxylic acid functional groups. This structure imparts versatility in synthetic applications, particularly as an intermediate in pharmaceutical and agrochemical research. The presence of both electron-withdrawing (chloro) and electron-donating (alkyl) groups enhances its reactivity in nucleophilic and electrophilic transformations. The carboxylic acid moiety allows for further derivatization, enabling the synthesis of amides, esters, and other functionalized derivatives. Its well-defined molecular architecture makes it valuable for structure-activity relationship studies in drug discovery. The compound is typically handled under controlled conditions due to its reactive functional groups.
4-Chloro-1-methyl-3-propyl-1H-pyrazole-5-carboxylicacid structure
128537-49-5 structure
Product Name:4-Chloro-1-methyl-3-propyl-1H-pyrazole-5-carboxylicacid
CAS No:128537-49-5
MF:C8H11ClN2O2
MW:202.638140916824
CID:63947
PubChem ID:14793353
Update Time:2025-05-25

4-Chloro-1-methyl-3-propyl-1H-pyrazole-5-carboxylicacid Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid
    • 4-chloro-2-methyl-5-propylpyrazole-3-carboxylic acid
    • 1H-Pyrazole-5-carboxylicacid,4-chloro-1-methyl-3-propyl
    • 4-chloranyl-2-methyl-5-propyl-pyrazole-3-carboxylic acid
    • DTXSID80564099
    • A805835
    • FT-0692439
    • AKOS022179602
    • 128537-49-5
    • 1H-Pyrazole-5-carboxylic acid, 4-chloro-1-methyl-3-propyl-
    • 4-chloro-2-methyl-5-propyl-3-pyrazolecarboxylic acid
    • 4-Chloro-1-methyl-3-propyl-1H-pyrazole-5-carboxylicacid
    • Inchi: 1S/C8H11ClN2O2/c1-3-4-5-6(9)7(8(12)13)11(2)10-5/h3-4H2,1-2H3,(H,12,13)
    • InChI Key: QCASQFHYPGEADG-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=O)O)N(C)N=C1CCC

Computed Properties

  • Exact Mass: 202.05100
  • Monoisotopic Mass: 202.0509053g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 201
  • 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: 1.9
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • Density: 1.34
  • Boiling Point: 349.3 °C at 760 mmHg
  • Flash Point: 165.1 °C
  • Refractive Index: 1.576
  • PSA: 55.12000
  • LogP: 1.72420

4-Chloro-1-methyl-3-propyl-1H-pyrazole-5-carboxylicacid 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-Chloro-1-methyl-3-propyl-1H-pyrazole-5-carboxylicacid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
C278855-50mg
4-Chloro-1-methyl-3-propyl-1H-pyrazole-5-carboxylicacid
128537-49-5
50mg
$ 185.00 2022-04-01
TRC
C278855-100mg
4-Chloro-1-methyl-3-propyl-1H-pyrazole-5-carboxylicacid
128537-49-5
100mg
$ 305.00 2022-04-01
TRC
C278855-250mg
4-Chloro-1-methyl-3-propyl-1H-pyrazole-5-carboxylicacid
128537-49-5
250mg
$ 605.00 2022-04-01

Additional information on 4-Chloro-1-methyl-3-propyl-1H-pyrazole-5-carboxylicacid

4-Chloro-1-methyl-3-propyl-1H-pyrazole-5-carboxylic Acid: A Comprehensive Overview

4-Chloro-1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid, identified by the CAS registry number 128537-49-5, is a compound of significant interest in the fields of organic chemistry, pharmacology, and materials science. This compound belongs to the class of pyrazole derivatives, which are known for their diverse biological activities and applications in drug design. The structure of this compound is characterized by a pyrazole ring system substituted with a chlorine atom at position 4, a methyl group at position 1, a propyl group at position 3, and a carboxylic acid group at position 5. These substituents contribute to its unique chemical properties and potential biological functions.

Recent studies have highlighted the potential of 4-chloro-1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid as a promising candidate in the development of novel therapeutic agents. Researchers have explored its role as an anti-inflammatory agent, where its ability to inhibit key inflammatory pathways has shown potential in treating conditions such as arthritis and cardiovascular diseases. Additionally, this compound has demonstrated antioxidant properties, making it a valuable component in skincare products aimed at combating oxidative stress and skin aging.

In the realm of pharmacology, the compound's interaction with various cellular receptors has been extensively studied. For instance, its ability to modulate G-protein coupled receptors (GPCRs) has opened avenues for its use in treating neurological disorders such as epilepsy and Alzheimer's disease. Furthermore, recent advancements in computational chemistry have enabled researchers to predict the compound's bioavailability and toxicity profiles, which are critical factors in drug development.

The synthesis of 4-chloro-1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid involves a multi-step process that combines principles of organic synthesis and catalytic chemistry. Key steps include the formation of the pyrazole ring through cyclization reactions, followed by selective substitution to introduce the desired functional groups. The use of transition metal catalysts has significantly improved the efficiency and yield of these reactions, making large-scale production more feasible.

From an environmental perspective, the compound's biodegradability and eco-toxicity have been assessed to ensure its safe application in various industries. Studies indicate that under controlled conditions, the compound undergoes rapid biodegradation, minimizing its environmental footprint. This makes it an attractive option for green chemistry applications.

In conclusion, 4-chloro-1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid (CAS No. 128537-49-5) represents a versatile molecule with wide-ranging applications across multiple disciplines. Its unique chemical structure, coupled with recent research findings, positions it as a key player in advancing innovative solutions in medicine, cosmetics, and sustainable chemistry.

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