Cas no 685094-07-9 (1-(2-fluorophenyl)-1H-pyrazol-3-amine)
1-(2-fluorophenyl)-1H-pyrazol-3-amine Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-fluorophenyl)-1H-pyrazol-3-amine
- 3-amino-1-(2-fluorophenyl)-1H-pyrazole
- SCHEMBL403403
- AKOS011972484
- 685094-07-9
- 1-(2-fluoro-phenyl)-1H-pyrazol-3-yl-amine
- 1-(2-Fluoro-phenyl)-1H-pyrazol-3-ylamine
- TQP1400
- AM20041010
- DFEXFGJRJBCUJP-UHFFFAOYSA-N
- 1-(2-fluorophenyl)-1H-pyrazole-3-amine
- DB-102543
-
- MDL: MFCD16845370
- Inchi: 1S/C9H8FN3/c10-7-3-1-2-4-8(7)13-6-5-9(11)12-13/h1-6H,(H2,11,12)
- InChI Key: DFEXFGJRJBCUJP-UHFFFAOYSA-N
- SMILES: FC1C=CC=CC=1N1C=CC(N)=N1
Computed Properties
- Exact Mass: 177.07022543g/mol
- Monoisotopic Mass: 177.07022543g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 176
- 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: 1.6
- Topological Polar Surface Area: 43.8?2
1-(2-fluorophenyl)-1H-pyrazol-3-amine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A049006059-1g |
1-(2-Fluorophenyl)-1h-pyrazol-3-amine |
685094-07-9 | 95% | 1g |
$578.86 | 2023-09-01 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1626473-1g |
1-(2-Fluorophenyl)-1H-pyrazol-3-amine |
685094-07-9 | 98% | 1g |
¥5115.00 | 2024-05-03 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1626473-5g |
1-(2-Fluorophenyl)-1H-pyrazol-3-amine |
685094-07-9 | 98% | 5g |
¥19173.00 | 2024-05-03 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1626473-10g |
1-(2-Fluorophenyl)-1H-pyrazol-3-amine |
685094-07-9 | 98% | 10g |
¥23007.00 | 2024-05-03 |
1-(2-fluorophenyl)-1H-pyrazol-3-amine Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Congyu Li,Wenfu Wang,Haiyan Wang,Guokai Yan,Weiyang Dong,Zhaosheng Chu,Huan Wang,Yang Chang RSC Adv., 2021,11, 26721-26731
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
Additional information on 1-(2-fluorophenyl)-1H-pyrazol-3-amine
Professional Introduction to 1-(2-fluorophenyl)-1H-pyrazol-3-amine (CAS No. 685094-07-9)
1-(2-fluorophenyl)-1H-pyrazol-3-amine is a significant compound in the field of pharmaceutical chemistry, characterized by its unique structural and chemical properties. This compound, identified by the CAS number 685094-07-9, has garnered considerable attention due to its potential applications in drug discovery and development. The presence of a fluorophenyl moiety and a pyrazole core makes it a versatile scaffold for designing molecules with enhanced biological activity.
The pyrazole ring is a heterocyclic aromatic compound that serves as a privileged structure in medicinal chemistry. Its nitrogen atoms contribute to the formation of hydrogen bonds, making it an ideal candidate for binding to biological targets. In contrast, the fluorophenyl group introduces electronic and steric effects that can modulate the pharmacokinetic properties of the molecule. These features make 1-(2-fluorophenyl)-1H-pyrazol-3-amine a promising candidate for further investigation in the development of novel therapeutic agents.
Recent advancements in computational chemistry have enabled the rational design of molecules based on structural motifs like 1-(2-fluorophenyl)-1H-pyrazol-3-amine. By leveraging machine learning algorithms, researchers can predict the binding affinity of this compound to various biological targets, thereby accelerating the drug discovery process. For instance, studies have shown that derivatives of this compound exhibit inhibitory activity against certain kinases, which are key enzymes involved in cancer progression.
The synthesis of 1-(2-fluorophenyl)-1H-pyrazol-3-amine involves multi-step organic reactions, typically starting from commercially available precursors. The introduction of the fluorine atom at the para position of the phenyl ring requires careful selection of reaction conditions to ensure high yield and purity. Advanced synthetic techniques, such as palladium-catalyzed cross-coupling reactions, have been employed to achieve this transformation efficiently.
In vitro studies have demonstrated that 1-(2-fluorophenyl)-1H-pyrazol-3-amine exhibits notable pharmacological properties. Its ability to interact with specific proteins and enzymes suggests potential therapeutic applications in areas such as oncology and inflammatory diseases. For example, researchers have explored its efficacy in inhibiting Janus kinases (JAKs), which play a crucial role in immune responses and are implicated in various autoimmune disorders.
The pharmacokinetic profile of 1-(2-fluorophenyl)-1H-pyrazol-3-amine is another critical aspect that has been extensively studied. The presence of the fluorine atom can influence metabolic stability and distribution within the body. Preclinical studies have indicated that this compound exhibits favorable bioavailability and moderate clearance rates, making it a suitable candidate for further development into an oral therapeutic agent.
The role of fluorine in medicinal chemistry cannot be overstated. Its ability to modulate electronic properties and influence metabolic pathways has led to the development of numerous successful drugs. In the case of 1-(2-fluorophenyl)-1H-pyrazol-3-amine, the fluorine atom at the para position enhances binding affinity to biological targets while also improving metabolic stability. This dual benefit makes it an attractive scaffold for drug design.
Ongoing research is focused on exploring analogs of 1-(2-fluorophenyl)-1H-pyrazol-3-amine to optimize its pharmacological properties. By modifying substituents on the pyrazole ring or introducing additional functional groups, scientists aim to enhance its potency, selectivity, and pharmacokinetic profile. Such modifications can lead to the discovery of novel drugs with improved therapeutic efficacy.
The integration of high-throughput screening (HTS) technologies has further accelerated the discovery process for compounds like 1-(2-fluorophenyl)-1H-pyrazol-3-amine. HTS allows researchers to rapidly test thousands of compounds against various biological targets, identifying those with promising activity. This approach has been instrumental in identifying lead compounds for further optimization and development.
In conclusion, 1-(2-fluorophenyl)-1H-pyrazol-3-amine (CAS No. 685094-07-9) is a versatile compound with significant potential in pharmaceutical research. Its unique structural features and favorable pharmacological properties make it an attractive candidate for drug development. With continued advancements in synthetic chemistry and computational methods, this compound is poised to contribute to the discovery of novel therapeutic agents that address unmet medical needs.
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