Cas no 442886-89-7 (1H-Pyrazole,3-ethyl-5-(1-methylpropyl)-)
442886-89-7 structure
Product Name:1H-Pyrazole,3-ethyl-5-(1-methylpropyl)-
CAS No:442886-89-7
MF:C9H16N2
MW:152.236742019653
CID:327413
PubChem ID:45121286
Update Time:2025-04-19
1H-Pyrazole,3-ethyl-5-(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole,3-ethyl-5-(1-methylpropyl)-
- SCHEMBL16848136
- 442886-89-7
- 5-(sec-Butyl)-3-ethyl-1H-pyrazole
- SCHEMBL1204695
-
- Inchi： 1S/C9H16N2/c1-4-7(3)9-6-8(5-2)10-11-9/h6-7H,4-5H2,1-3H3,(H,10,11)
- InChI Key： ZWWUWWZZBFHMRT-UHFFFAOYSA-N
- SMILES： N1C(CC)=CC(C(C)CC)=N1
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: 114
- 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: 28.7A^2
- XLogP3: 2.6
1H-Pyrazole,3-ethyl-5-(1-methylpropyl)- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
442886-89-7 (1H-Pyrazole,3-ethyl-5-(1-methylpropyl)-) Related Products
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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