Cas no 30152-32-0 (1H-Pyrazole, 3-(4-chlorophenyl)-5-phenyl-)
1H-Pyrazole, 3-(4-chlorophenyl)-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 3-(4-chlorophenyl)-5-phenyl-
- 5-(4-chlorophenyl)-3-phenyl-1H-pyrazole
- ZINC00434359
- CHEMBL218059
- Z56802839
- Enamine_001573
- 30152-32-0
- 3-(4-chlorophenyl)-5-phenyl-1H-pyrazole
- AKOS001034435
- DTXSID10357835
- HMS1398H11
- 3-(4-chlorophenyl)-5-phenylpyrazol
- SCHEMBL6231163
-
- Inchi: 1S/C15H11ClN2/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-10H,(H,17,18)
- InChI Key: WLPDBGOPQLWLLN-UHFFFAOYSA-N
- SMILES: ClC1C=CC(=CC=1)C1=CC(C2C=CC=CC=2)=NN1
Computed Properties
- Exact Mass: 254.06123
- Monoisotopic Mass: 254.0610761g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 257
- 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: 4.2
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- PSA: 28.68
1H-Pyrazole, 3-(4-chlorophenyl)-5-phenyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM516487-1g |
3-(4-Chlorophenyl)-5-phenyl-1H-pyrazole |
30152-32-0 | 97% | 1g |
$480 | 2022-06-11 |
1H-Pyrazole, 3-(4-chlorophenyl)-5-phenyl- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
Additional information on 1H-Pyrazole, 3-(4-chlorophenyl)-5-phenyl-
Introduction to 1H-Pyrazole, 3-(4-chlorophenyl)-5-phenyl- (CAS No. 30152-32-0) and Its Emerging Applications in Chemical Biology and Medicinal Chemistry
1H-Pyrazole, 3-(4-chlorophenyl)-5-phenyl-, identified by its CAS number 30152-32-0, is a heterocyclic compound that has garnered significant attention in the fields of chemical biology and medicinal chemistry due to its versatile structural framework and potential biological activities. The pyrazole core, a five-membered aromatic ring containing two nitrogen atoms, is a privileged scaffold in drug discovery, known for its ability to modulate various biological pathways. The presence of both phenyl and chlorophenyl substituents in this compound introduces additional functional diversity, making it a valuable candidate for further exploration.
The structural features of 1H-Pyrazole, 3-(4-chlorophenyl)-5-phenyl- contribute to its unique chemical properties. The chloro group at the 4-position of the phenyl ring enhances electrophilicity, facilitating nucleophilic substitution reactions, while the second phenyl ring provides steric and electronic modulation. These characteristics make the compound a promising intermediate for synthesizing more complex molecules with tailored biological effects.
In recent years, there has been a surge in research focused on developing novel therapeutic agents derived from pyrazole derivatives. The compound 1H-Pyrazole, 3-(4-chlorophenyl)-5-phenyl- has been investigated for its potential role in various pharmacological contexts. For instance, studies have suggested that pyrazole-based compounds may exhibit anti-inflammatory, antimicrobial, and anticancer properties. The specific substitution pattern in 1H-Pyrazole, 3-(4-chlorophenyl)-5-phenyl- is thought to influence its binding affinity to target proteins, thereby modulating downstream signaling pathways.
One of the most compelling aspects of this compound is its utility as a building block for drug design. Researchers have leveraged its scaffold to develop inhibitors targeting enzymes such as kinases and phosphodiesterases, which are implicated in numerous diseases. The chlorophenyl group serves as a hinge-binding motif, allowing for precise interactions with active sites of enzymes. Additionally, the phenyl ring can be further functionalized to enhance solubility or metabolic stability, making it an adaptable platform for structure-activity relationship (SAR) studies.
The synthesis of 1H-Pyrazole, 3-(4-chlorophenyl)-5-phenyl- typically involves multi-step organic transformations starting from readily available precursors. Common synthetic routes include condensation reactions between hydrazine derivatives and α-haloketones or α-bromoaldehydes, followed by functional group interconversions such as halogenation and alkylation. Advances in catalytic methods have also enabled more efficient and sustainable synthetic pathways, reducing the environmental impact of production.
Recent advancements in computational chemistry have further accelerated the discovery process for derivatives of 1H-Pyrazole, 3-(4-chlorophenyl)-5-phenyl-. Molecular docking simulations allow researchers to predict binding modes and affinities with high precision, guiding experimental efforts toward optimizing lead compounds. Furthermore, machine learning algorithms have been employed to identify novel structural motifs within this class of compounds that may enhance biological activity or reduce toxicity.
In clinical settings, analogs of 1H-Pyrazole, 3-(4-chlorophenyl)-5-phenyl- are being evaluated in preclinical trials for their therapeutic potential. Preliminary results indicate promising efficacy against certain types of cancer and inflammatory disorders. The ability of these compounds to selectively inhibit disease-causing pathways while minimizing off-target effects remains a key focus of ongoing research. Collaborative efforts between academic institutions and pharmaceutical companies are essential to translate these findings into viable clinical candidates.
The future directions for research on 1H-Pyrazole, 3-(4-chlorophenyl)-5-phenyl- are multifaceted. Exploration into its pharmacokinetic properties will be crucial for understanding how it behaves within biological systems. Additionally, investigating its interactions with other biomolecules using techniques such as X-ray crystallography will provide deeper insights into its mechanism of action. Furthermore, green chemistry principles should be integrated into synthetic methodologies to ensure sustainable production practices.
In conclusion,1H-Pyrazole, 3-(4-chlorophenyl)-5-phenyl- (CAS No. 30152-32-0) represents a significant area of interest in medicinal chemistry due to its structural versatility and potential therapeutic applications. Its role as a precursor for developing novel drug candidates underscores the importance of continued research into pyrazole derivatives. As our understanding of biological pathways expands and computational tools become more sophisticated,1H-Pyrazole, 3-(4-chlorophenyl)-5-phenyl-based compounds are poised to make meaningful contributions to human health.
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