Cas no 98700-53-9 (1,5-Diphenyl-1H-pyrazole-4-carboxylicacid)
1,5-Diphenyl-1H-pyrazole-4-carboxylicacid Chemical and Physical Properties
Names and Identifiers
-
- 1,5-Diphenyl-1H-pyrazole-4-carboxylic acid
- 1,5-diphenylpyrazole-4-carboxylic acid
- 1,5-Diphenyl-1H-pyrazol-4-carbonsaeure
- HMS2334P07
- MLS000544895
- 6921AC
- SMR000126651
- AK112709
- AX8035552
- 1H-Pyrazole-4-carboxylicacid, 1,5-diphenyl-
- 700D539
- 1,5-Diphenyl-1H-pyrazole-4-carboxylic acid, AldrichCPR
- 1,5-Diphenyl-1H-pyrazole-4-carboxylicacid
- MFCD02186759
- CS-0156480
- 3R-1031
- CHEMBL1311159
- AKOS005089342
- A916224
- FT-0723757
- DTXSID40396616
- SCHEMBL4497271
- HMS2334P07; 1,5-diphenyl-1H-pyrazole-4-carboxylic acid;
- 98700-53-9
- C77369
- DB-080562
- 1,?5-Diphenyl-1H-pyrazole-4-carboxylic?acid
-
- MDL： MFCD02186759
- Inchi： 1S/C16H12N2O2/c19-16(20)14-11-17-18(13-9-5-2-6-10-13)15(14)12-7-3-1-4-8-12/h1-11H,(H,19,20)
- InChI Key： XFYHUVOWHZCRFB-UHFFFAOYSA-N
- SMILES： OC(C1C=NN(C2C=CC=CC=2)C=1C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 264.09000
- Monoisotopic Mass: 264.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 335
- 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: 55.1
- XLogP3: 3.1
Experimental Properties
- Density: 1.23
- Boiling Point: 451.4°C at 760 mmHg
- Flash Point: 226.8 °C
- PSA: 55.12000
- LogP: 3.23750
1,5-Diphenyl-1H-pyrazole-4-carboxylicacid Security Information
- Signal Word：Warning
- Hazard Statement： H302-H315-H319-H335
- Warning Statement： P261-P305+P351+P338
- Storage Condition：Sealed in dry,Room Temperature
1,5-Diphenyl-1H-pyrazole-4-carboxylicacid Customs Data
- HS CODE：2933199090
- Customs Data：
China Customs Code:
2933199090Overview:
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%
1,5-Diphenyl-1H-pyrazole-4-carboxylicacid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A049003017-1g |
1,5-Diphenyl-1H-pyrazole-4-carboxylic acid |
98700-53-9 | 95% | 1g |
$481.50 | 2023-08-31 | |
| Alichem | A049003017-5g |
1,5-Diphenyl-1H-pyrazole-4-carboxylic acid |
98700-53-9 | 95% | 5g |
$1323.00 | 2023-08-31 | |
| Alichem | A049003017-10g |
1,5-Diphenyl-1H-pyrazole-4-carboxylic acid |
98700-53-9 | 95% | 10g |
$1980.00 | 2023-08-31 | |
| TRC | D263265-2.5mg |
1,5-Diphenyl-1H-pyrazole-4-carboxylicacid |
98700-53-9 | 2.5mg |
$ 275.00 | 2022-06-05 | ||
| TRC | D263265-5mg |
1,5-Diphenyl-1H-pyrazole-4-carboxylicacid |
98700-53-9 | 5mg |
$ 530.00 | 2022-06-05 | ||
| TRC | D263265-10mg |
1,5-Diphenyl-1H-pyrazole-4-carboxylicacid |
98700-53-9 | 10mg |
$ 840.00 | 2022-06-05 | ||
| Chemenu | CM188780-1g |
1,5-diphenyl-1H-pyrazole-4-carboxylic acid |
98700-53-9 | 95% | 1g |
$421 | 2021-08-05 | |
| Chemenu | CM188780-5g |
1,5-diphenyl-1H-pyrazole-4-carboxylic acid |
98700-53-9 | 95% | 5g |
$1262 | 2021-08-05 | |
| Chemenu | CM188780-10g |
1,5-diphenyl-1H-pyrazole-4-carboxylic acid |
98700-53-9 | 95% | 10g |
$1851 | 2021-08-05 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-KJ100-1g |
1,5-Diphenyl-1H-pyrazole-4-carboxylicacid |
98700-53-9 | 95+% | 1g |
4687CNY | 2021-05-08 |
1,5-Diphenyl-1H-pyrazole-4-carboxylicacid Suppliers
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1,5-Diphenyl-1H-pyrazole-4-carboxylicacid Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
Additional information on 1,5-Diphenyl-1H-pyrazole-4-carboxylicacid
Introduction to 1,5-Diphenyl-1H-pyrazole-4-carboxylic Acid (CAS No. 98700-53-9)
1,5-Diphenyl-1H-pyrazole-4-carboxylic acid (CAS No. 98700-53-9) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound belongs to the class of pyrazoles, which are known for their diverse biological activities, including anti-inflammatory, analgesic, and anti-cancer properties. The unique structural features of 1,5-Diphenyl-1H-pyrazole-4-carboxylic acid make it a valuable scaffold for the development of novel therapeutic agents.
The chemical structure of 1,5-Diphenyl-1H-pyrazole-4-carboxylic acid consists of a pyrazole ring substituted with two phenyl groups at the 1 and 5 positions, and a carboxylic acid group at the 4 position. This arrangement confers the molecule with specific physicochemical properties that are crucial for its biological activity. The carboxylic acid group provides the compound with acidic characteristics, while the phenyl groups enhance its lipophilicity and aromaticity.
In recent years, extensive research has been conducted to explore the potential applications of 1,5-Diphenyl-1H-pyrazole-4-carboxylic acid in various therapeutic areas. One notable area of interest is its anti-inflammatory properties. Studies have shown that this compound can effectively inhibit the production of pro-inflammatory cytokines such as interleukin-6 (IL-6) and tumor necrosis factor-alpha (TNF-α). These findings suggest that 1,5-Diphenyl-1H-pyrazole-4-carboxylic acid could be a promising candidate for the treatment of inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease.
Beyond its anti-inflammatory effects, 1,5-Diphenyl-1H-pyrazole-4-carboxylic acid has also demonstrated significant analgesic activity. Research has indicated that this compound can modulate pain pathways by interacting with specific receptors in the central nervous system. This property makes it a potential lead compound for the development of new pain management therapies.
In the realm of oncology, 1,5-Diphenyl-1H-pyrazole-4-carboxylic acid has shown promising anti-cancer properties. Studies have reported that this compound can induce apoptosis in various cancer cell lines, including breast cancer, lung cancer, and colorectal cancer cells. The mechanism of action involves the modulation of key signaling pathways such as p53 and Bcl-2, which are critical for cell survival and proliferation.
The synthetic accessibility of 1,5-Diphenyl-1H-pyrazole-4-carboxylic acid is another factor contributing to its appeal in pharmaceutical research. Various synthetic routes have been developed to produce this compound efficiently and cost-effectively. One common method involves the condensation of phenylhydrazine with an appropriate acetylene derivative followed by carboxylation. These synthetic strategies enable researchers to easily modify the structure of the compound to optimize its biological activity and pharmacokinetic properties.
In addition to its direct therapeutic applications, 1,5-Diphenyl-1H-pyrazole-4-carboxylic acid serves as an important building block for the synthesis of more complex molecules. Its versatile reactivity allows it to be incorporated into a wide range of functional groups and scaffolds, making it a valuable intermediate in organic synthesis.
The safety profile of 1,5-Diphenyl-1H-pyrazole-4-carboxylic acid is also an important consideration in its development as a therapeutic agent. Preclinical studies have shown that this compound exhibits low toxicity and good tolerability in animal models. However, further clinical trials are necessary to fully evaluate its safety and efficacy in humans.
In conclusion, 1,5-Diphenyl-1H-pyrazole-4-carboxylic acid (CAS No. 98700-53-9) is a multifaceted organic compound with significant potential in medicinal chemistry and pharmaceutical research. Its unique structural features and diverse biological activities make it a promising candidate for the development of novel therapeutic agents targeting inflammatory diseases, pain management, and cancer treatment. Ongoing research continues to uncover new applications and mechanisms of action for this intriguing molecule.
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