Cas no 21387-41-7 (3-ethynyl-5-methyl-1H-pyrazole)
3-ethynyl-5-methyl-1H-pyrazole is a versatile heterocyclic compound with significant potential in medicinal chemistry. It features a pyrazole ring with a methyl substituent and an ethynyl substituent, providing unique electronic properties. Its structural diversity allows for the development of novel compounds with potential therapeutic applications. This compound is valued for its synthetic accessibility and the potential for structural modifications, offering a platform for further research and development.
21387-41-7 structure
Product Name:3-ethynyl-5-methyl-1H-pyrazole
CAS No:21387-41-7
MF:C6H6N2
MW:106.125240802765
CID:6090772
PubChem ID:89053261
Update Time:2025-10-15
3-ethynyl-5-methyl-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
-
- 3-ethynyl-5-methyl-1H-pyrazole
- 1H-Pyrazole, 3-ethynyl-5-methyl-
- 21387-41-7
- EN300-1822780
- SCHEMBL13282691
-
- Inchi： 1S/C6H6N2/c1-3-6-4-5(2)7-8-6/h1,4H,2H3,(H,7,8)
- InChI Key： KGTYSBBLGWUJGT-UHFFFAOYSA-N
- SMILES： N1C(C)=CC(C#C)=N1
Computed Properties
- Exact Mass: 106.053098200g/mol
- Monoisotopic Mass: 106.053098200g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 122
- 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: 0.9
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- Density: 1.10±0.1 g/cm3(Predicted)
- Boiling Point: 260.7±28.0 °C(Predicted)
- pka: 12.88±0.10(Predicted)
3-ethynyl-5-methyl-1H-pyrazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1822780-0.05g |
3-ethynyl-5-methyl-1H-pyrazole |
21387-41-7 | 95% | 0.05g |
$232.0 | 2023-09-19 | |
| Enamine | EN300-1822780-0.1g |
3-ethynyl-5-methyl-1H-pyrazole |
21387-41-7 | 95% | 0.1g |
$347.0 | 2023-09-19 | |
| Enamine | EN300-1822780-0.25g |
3-ethynyl-5-methyl-1H-pyrazole |
21387-41-7 | 95% | 0.25g |
$494.0 | 2023-09-19 | |
| Enamine | EN300-1822780-0.5g |
3-ethynyl-5-methyl-1H-pyrazole |
21387-41-7 | 95% | 0.5g |
$780.0 | 2023-09-19 | |
| Enamine | EN300-1822780-1.0g |
3-ethynyl-5-methyl-1H-pyrazole |
21387-41-7 | 95% | 1g |
$1343.0 | 2023-05-26 | |
| Enamine | EN300-1822780-2.5g |
3-ethynyl-5-methyl-1H-pyrazole |
21387-41-7 | 95% | 2.5g |
$1959.0 | 2023-09-19 | |
| Enamine | EN300-1822780-5.0g |
3-ethynyl-5-methyl-1H-pyrazole |
21387-41-7 | 95% | 5g |
$3894.0 | 2023-05-26 | |
| Enamine | EN300-1822780-10.0g |
3-ethynyl-5-methyl-1H-pyrazole |
21387-41-7 | 95% | 10g |
$5774.0 | 2023-05-26 | |
| 1PlusChem | 1P02869R-50mg |
3-ethynyl-5-methyl-1H-pyrazole |
21387-41-7 | 95% | 50mg |
$339.00 | 2023-12-19 | |
| 1PlusChem | 1P02869R-100mg |
3-ethynyl-5-methyl-1H-pyrazole |
21387-41-7 | 95% | 100mg |
$491.00 | 2023-12-19 |
3-ethynyl-5-methyl-1H-pyrazole Related Literature
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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