Cas no 477709-76-5 (1H-Pyrazole,1-(cyanoacetyl)-4-ethyl-3,5-dimethyl-(9CI))
1H-Pyrazole,1-(cyanoacetyl)-4-ethyl-3,5-dimethyl-(9CI) is a specialized pyrazole derivative featuring a cyanoacetyl substituent at the 1-position and ethyl and methyl groups at the 4, 3, and 5-positions. This compound is of interest in synthetic organic chemistry due to its functional group diversity, which enables its use as a versatile intermediate in heterocyclic synthesis. The presence of the cyano and carbonyl groups enhances reactivity, facilitating further modifications such as nucleophilic additions or cyclization reactions. Its well-defined structure and stability make it suitable for applications in pharmaceutical and agrochemical research, particularly in the development of biologically active molecules. The compound is typically handled under controlled conditions due to its reactive nature.
477709-76-5 structure
Product Name:1H-Pyrazole,1-(cyanoacetyl)-4-ethyl-3,5-dimethyl-(9CI)
CAS No:477709-76-5
MF:C10H13N3O
MW:191.229721784592
CID:1017579
PubChem ID:3849492
Update Time:2025-10-19
1H-Pyrazole,1-(cyanoacetyl)-4-ethyl-3,5-dimethyl-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole,1-(cyanoacetyl)-4-ethyl-3,5-dimethyl-(9CI)
- 3-(4-Ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropanenitrile
- DB-279448
- 477709-76-5
- AKOS006277713
- 1H-PYRAZOLE, 1-(CYANOACETYL)-4-ETHYL-3,5-DIMETHYL-
- MFCD02082820
- 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-oxopropanenitrile
- 12P-133
-
- Inchi： 1S/C10H13N3O/c1-4-9-7(2)12-13(8(9)3)10(14)5-6-11/h4-5H2,1-3H3
- InChI Key： CXSHJAKATNVMKG-UHFFFAOYSA-N
- SMILES： O=C(CC#N)N1C(C)=C(C(C)=N1)CC
Computed Properties
- Exact Mass: 191.106
- Monoisotopic Mass: 191.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 268
- 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: 58.7?2
1H-Pyrazole,1-(cyanoacetyl)-4-ethyl-3,5-dimethyl-(9CI) Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1674533-1mg |
3-(4-Ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropanenitrile |
477709-76-5 | 98% | 1mg |
￥556.00 | 2024-05-12 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1674533-2mg |
3-(4-Ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropanenitrile |
477709-76-5 | 98% | 2mg |
￥630.00 | 2024-05-12 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1674533-5mg |
3-(4-Ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropanenitrile |
477709-76-5 | 98% | 5mg |
￥546.00 | 2024-05-12 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1674533-10mg |
3-(4-Ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropanenitrile |
477709-76-5 | 98% | 10mg |
￥819.00 | 2024-05-12 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1674533-20mg |
3-(4-Ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropanenitrile |
477709-76-5 | 98% | 20mg |
￥1303.00 | 2024-05-12 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1674533-25mg |
3-(4-Ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropanenitrile |
477709-76-5 | 98% | 25mg |
￥1228.00 | 2024-05-12 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1674533-50mg |
3-(4-Ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropanenitrile |
477709-76-5 | 98% | 50mg |
￥1226.00 | 2024-05-12 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1674533-100mg |
3-(4-Ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropanenitrile |
477709-76-5 | 98% | 100mg |
￥1755.00 | 2024-05-12 |
1H-Pyrazole,1-(cyanoacetyl)-4-ethyl-3,5-dimethyl-(9CI) Related Literature
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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