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 Chemical and Physical Properties
Names and Identifiers
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- 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
5-chloro-1-(2-chlorophenyl)methyl-3-methyl-1H-pyrazole-4-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-06805-0.05g |
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-1H-pyrazole-4-carboxylic acid |
956374-18-8 | 95.0% | 0.05g |
$42.0 | 2025-02-21 | |
| Enamine | EN300-06805-0.1g |
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-1H-pyrazole-4-carboxylic acid |
956374-18-8 | 95.0% | 0.1g |
$66.0 | 2025-02-21 | |
| Enamine | EN300-06805-0.25g |
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-1H-pyrazole-4-carboxylic acid |
956374-18-8 | 95.0% | 0.25g |
$92.0 | 2025-02-21 | |
| Enamine | EN300-06805-0.5g |
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-1H-pyrazole-4-carboxylic acid |
956374-18-8 | 95.0% | 0.5g |
$175.0 | 2025-02-21 | |
| Enamine | EN300-06805-1.0g |
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-1H-pyrazole-4-carboxylic acid |
956374-18-8 | 95.0% | 1.0g |
$256.0 | 2025-02-21 | |
| Enamine | EN300-06805-2.5g |
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-1H-pyrazole-4-carboxylic acid |
956374-18-8 | 95.0% | 2.5g |
$503.0 | 2025-02-21 | |
| Enamine | EN300-06805-5.0g |
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-1H-pyrazole-4-carboxylic acid |
956374-18-8 | 95.0% | 5.0g |
$743.0 | 2025-02-21 | |
| Enamine | EN300-06805-10.0g |
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-1H-pyrazole-4-carboxylic acid |
956374-18-8 | 95.0% | 10.0g |
$1101.0 | 2025-02-21 | |
| Enamine | EN300-06805-1g |
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-1H-pyrazole-4-carboxylic acid |
956374-18-8 | 96% | 1g |
$256.0 | 2023-10-28 | |
| Enamine | EN300-06805-5g |
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-1H-pyrazole-4-carboxylic acid |
956374-18-8 | 96% | 5g |
$743.0 | 2023-10-28 |
5-chloro-1-(2-chlorophenyl)methyl-3-methyl-1H-pyrazole-4-carboxylic acid Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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