Cas no 442886-86-4 (1H-Pyrazole,3-ethyl-5-(2-methylpropyl)-)
442886-86-4 structure
Product Name:1H-Pyrazole,3-ethyl-5-(2-methylpropyl)-
CAS No:442886-86-4
MF:C9H16N2
MW:152.236742019653
CID:327411
PubChem ID:45121287
Update Time:2025-04-19
1H-Pyrazole,3-ethyl-5-(2-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole,3-ethyl-5-(2-methylpropyl)-
- 3-Ethyl-5-isobutyl-1H-pyrazole
- SCHEMBL1205150
- 442886-86-4
-
- Inchi： 1S/C9H16N2/c1-4-8-6-9(11-10-8)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,10,11)
- InChI Key： WKVOQEKEOXZIRQ-UHFFFAOYSA-N
- SMILES： N1C(=CC(CC)=N1)CC(C)C
Computed Properties
- Exact Mass: 152.131
- Monoisotopic Mass: 152.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 112
- 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
- Topological Polar Surface Area: 28.7A^2
- XLogP3: 2.7
1H-Pyrazole,3-ethyl-5-(2-methylpropyl)- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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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
442886-86-4 (1H-Pyrazole,3-ethyl-5-(2-methylpropyl)-) Related Products
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- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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