Cas no 956374-18-8 (5-chloro-1-(2-chlorophenyl)methyl-3-methyl-1H-pyrazole-4-carboxylic acid)

5-Chloro-1-(2-chlorophenyl)methyl-3-methyl-1H-pyrazole-4-carboxylic acid is a pyrazole-based carboxylic acid derivative with potential applications in pharmaceutical and agrochemical synthesis. Its structure features a chloro-substituted phenylmethyl group and a methyl substituent on the pyrazole ring, contributing to its reactivity and selectivity in chemical transformations. The compound’s carboxylic acid functionality allows for further derivatization, making it a versatile intermediate in medicinal chemistry. Its dual chloro-substitution enhances stability and may influence binding interactions in target molecules. This compound is particularly useful in the development of biologically active agents, where precise structural modifications are required for optimizing efficacy and pharmacokinetic properties.
5-chloro-1-(2-chlorophenyl)methyl-3-methyl-1H-pyrazole-4-carboxylic acid structure
956374-18-8 structure
Product Name:5-chloro-1-(2-chlorophenyl)methyl-3-methyl-1H-pyrazole-4-carboxylic acid
CAS No:956374-18-8
MF:C12H10Cl2N2O2
MW:285.126000881195
CID:844670
PubChem ID:2400451
Update Time:2025-11-05

5-chloro-1-(2-chlorophenyl)methyl-3-methyl-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-CHLORO-1-(2-CHLOROBENZYL)-3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
    • 1-(2-chlorobenzyl)-5-chloro-3-methyl-1H-pyrazole-4-carboxylic acid
    • 5-chloro-1-(2-chlorophenyl)methyl-3-methyl-1H-pyrazole-4-carboxylic acid
    • MLS000774678
    • J-517231
    • SR-01000047440-1
    • DTXSID501331148
    • Z56946866
    • CHEMBL1549694
    • SR-01000047440
    • SMR000372440
    • AKOS001045087
    • CS-0220488
    • 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid
    • HMS2727M18
    • 956374-18-8
    • FT-0716156
    • 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-1H-pyrazole-4-carboxylic acid
    • EN300-06805
    • SCHEMBL13982871
    • MDL: MFCD04624245
    • Inchi: 1S/C12H10Cl2N2O2/c1-7-10(12(17)18)11(14)16(15-7)6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,17,18)
    • InChI Key: JFXMBXPVJHNYCO-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=O)O)C(C)=NN1CC1C=CC=CC=1Cl

Computed Properties

  • Exact Mass: 284.0119330g/mol
  • Monoisotopic Mass: 284.0119330g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 317
  • 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: 3.3
  • Topological Polar Surface Area: 55.1?2

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Additional information on 5-chloro-1-(2-chlorophenyl)methyl-3-methyl-1H-pyrazole-4-carboxylic acid

5-Chloro-1-(2-Chlorophenyl)methyl-3-Methyl-1H-Pyrazole-4-Carboxylic Acid (CAS No. 956374-18-8)

The compound 5-chloro-1-(2-chlorophenyl)methyl-3-methyl-1H-pyrazole-4-carboxylic acid (CAS No. 956374-18-8) is a synthetic organic compound with a complex structure that has garnered significant attention in the fields of medicinal chemistry and agrochemicals. This compound belongs to the class of pyrazole derivatives, which are known for their diverse biological activities and applications. The molecule features a pyrazole ring system, which is a five-membered heterocycle containing two nitrogen atoms, along with substituents such as chlorine atoms and methyl groups that contribute to its unique chemical properties.

Recent studies have highlighted the potential of pyrazole derivatives as promising candidates for drug development, particularly in the treatment of various diseases such as cancer, inflammation, and infectious diseases. The presence of chlorine atoms in the structure of this compound enhances its stability and bioavailability, making it a valuable lead compound for further optimization. Additionally, the methyl group substitution at position 3 of the pyrazole ring may influence its pharmacokinetic properties, such as absorption and metabolism.

In terms of synthesis, this compound can be prepared through a variety of methods, including nucleophilic substitution, condensation reactions, and coupling reactions. Researchers have explored efficient synthetic routes to prepare this compound with high yields and purity. For instance, one approach involves the reaction of a suitable chloropyrazole derivative with an aldehyde or ketone in the presence of an appropriate catalyst to form the desired product. The optimization of reaction conditions has been a focal point in recent studies to ensure scalability and cost-effectiveness.

The biological activity of 5-chloro-1-(2-chlorophenyl)methyl-3-methyl-1H-pyrazole-4-carboxylic acid has been extensively investigated in vitro and in vivo models. In one study, this compound demonstrated potent anti-inflammatory activity by inhibiting key enzymes involved in inflammatory pathways. Another study revealed its potential as an anticancer agent by inducing apoptosis in cancer cells through modulation of mitochondrial function and activation of caspase pathways.

Beyond its therapeutic applications, this compound has also been explored for its agrochemical properties. Pyrazole derivatives are known for their pesticidal activity, and this compound has shown promise as a fungicide or insecticide. Its ability to inhibit fungal growth or disrupt insect metabolic pathways makes it a candidate for developing eco-friendly agricultural chemicals.

In conclusion, CAS No. 956374-18-8, or 5-chloro-1-(2-chlorophenyl)methyl-3-methyl-1H-pyrazole-4-carboxylic acid, represents a versatile molecule with wide-ranging applications in medicine and agriculture. Ongoing research continues to uncover new insights into its structure-function relationships and potential uses, underscoring its importance as a valuable tool in modern chemistry.

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