Cas no 1211541-73-9 (3-pyrazol-1-ylpiperidine)
3-pyrazol-1-ylpiperidine Chemical and Physical Properties
Names and Identifiers
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- 3-(1H-pyrazol-1-yl)piperidine
- 3-pyrazol-1-ylpiperidine
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- MDL: MFCD28411820
- Inchi: 1S/C8H13N3/c1-3-8(7-9-4-1)11-6-2-5-10-11/h2,5-6,8-9H,1,3-4,7H2
- InChI Key: OVEZWSXZQCHUEP-UHFFFAOYSA-N
- SMILES: N1CCCC(N2C=CC=N2)C1
Computed Properties
- Exact Mass: 151.111
- Monoisotopic Mass: 151.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 127
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.8A^2
- XLogP3: 0.3
3-pyrazol-1-ylpiperidine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B530095-10mg |
3-(1H-Pyrazol-1-yl)piperidine |
1211541-73-9 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B530095-50mg |
3-(1H-Pyrazol-1-yl)piperidine |
1211541-73-9 | 50mg |
$ 185.00 | 2022-06-07 | ||
| TRC | B530095-100mg |
3-(1H-Pyrazol-1-yl)piperidine |
1211541-73-9 | 100mg |
$ 295.00 | 2022-06-07 | ||
| Enamine | EN300-65062-0.05g |
3-(1H-pyrazol-1-yl)piperidine |
1211541-73-9 | 90% | 0.05g |
$174.0 | 2023-07-06 | |
| Enamine | EN300-65062-0.1g |
3-(1H-pyrazol-1-yl)piperidine |
1211541-73-9 | 90% | 0.1g |
$257.0 | 2023-07-06 | |
| Enamine | EN300-65062-0.25g |
3-(1H-pyrazol-1-yl)piperidine |
1211541-73-9 | 90% | 0.25g |
$367.0 | 2023-07-06 | |
| Enamine | EN300-65062-0.5g |
3-(1H-pyrazol-1-yl)piperidine |
1211541-73-9 | 90% | 0.5g |
$579.0 | 2023-07-06 | |
| Enamine | EN300-65062-1.0g |
3-(1H-pyrazol-1-yl)piperidine |
1211541-73-9 | 90% | 1.0g |
$743.0 | 2023-07-06 | |
| Enamine | EN300-65062-2.5g |
3-(1H-pyrazol-1-yl)piperidine |
1211541-73-9 | 90% | 2.5g |
$1454.0 | 2023-07-06 | |
| Enamine | EN300-65062-5.0g |
3-(1H-pyrazol-1-yl)piperidine |
1211541-73-9 | 90% | 5.0g |
$2152.0 | 2023-07-06 |
3-pyrazol-1-ylpiperidine Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
Additional information on 3-pyrazol-1-ylpiperidine
Recent Advances in the Study of 3-pyrazol-1-ylpiperidine (CAS: 1211541-73-9) in Chemical Biology and Pharmaceutical Research
3-pyrazol-1-ylpiperidine (CAS: 1211541-73-9) has recently emerged as a compound of significant interest in chemical biology and pharmaceutical research. This heterocyclic scaffold, characterized by its pyrazole and piperidine moieties, has demonstrated versatile applications in drug discovery, particularly in the modulation of protein-protein interactions and enzyme inhibition. Recent studies have highlighted its potential as a key pharmacophore in the development of novel therapeutics targeting neurological disorders, inflammatory diseases, and cancer.
A 2023 study published in the Journal of Medicinal Chemistry explored the structural optimization of 3-pyrazol-1-ylpiperidine derivatives to enhance their binding affinity for the kappa opioid receptor (KOR). The research team employed a combination of computational docking and molecular dynamics simulations to identify critical interactions between the compound and the receptor's active site. Their findings revealed that subtle modifications to the pyrazole ring could significantly improve selectivity over other opioid receptors, offering a promising avenue for the development of non-addictive analgesics.
In the field of oncology, researchers have investigated 3-pyrazol-1-ylpiperidine as a potential inhibitor of protein kinases involved in tumor progression. A recent preprint on bioRxiv (2024) demonstrated that certain derivatives of this compound exhibited nanomolar inhibitory activity against CDK8, a kinase implicated in colorectal cancer. The study utilized crystallography to elucidate the binding mode, showing how the piperidine nitrogen forms a crucial hydrogen bond with the kinase's hinge region. These structural insights are now being leveraged to design next-generation CDK inhibitors with improved pharmacokinetic properties.
The compound's application in neurodegenerative disease research has also gained traction. A multi-center study published in ACS Chemical Neuroscience (2023) reported that 3-pyrazol-1-ylpiperidine derivatives could modulate α-synuclein aggregation, a pathological hallmark of Parkinson's disease. Through high-throughput screening and subsequent structure-activity relationship (SAR) analysis, researchers identified several lead compounds that reduced fibril formation by up to 70% in cellular models, while maintaining favorable blood-brain barrier permeability.
From a synthetic chemistry perspective, recent advances have focused on developing more efficient routes to 3-pyrazol-1-ylpiperidine and its derivatives. A 2024 Organic Process Research & Development publication described a novel continuous flow synthesis method that improved yield from 45% to 82% while reducing hazardous waste generation. This technological innovation addresses previous scalability challenges and could facilitate broader adoption of this scaffold in medicinal chemistry programs.
Looking forward, the unique physicochemical properties of 3-pyrazol-1-ylpiperidine - including its balanced lipophilicity (clogP ~2.1) and moderate basicity (pKa ~8.3) - position it as a valuable building block for drug discovery. Several pharmaceutical companies have included derivatives of this compound in their preclinical pipelines, with particular interest in its application to GPCR-targeted therapies. As research continues to uncover new biological targets and optimize synthetic approaches, 3-pyrazol-1-ylpiperidine (CAS: 1211541-73-9) is poised to remain at the forefront of chemical biology and pharmaceutical innovation.
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