Cas no 442887-08-3 (1H-Pyrazole,3-butyl-5-(1-methylethyl)-(9CI))
442887-08-3 structure
Product Name:1H-Pyrazole,3-butyl-5-(1-methylethyl)-(9CI)
CAS No:442887-08-3
MF:C10H18N2
MW:166.263322353363
CID:327417
Update Time:2023-03-30
1H-Pyrazole,3-butyl-5-(1-methylethyl)-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole,3-butyl-5-(1-methylethyl)-
- 1H-Pyrazole,3-butyl-5-(1-methylethyl)-(9CI)
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- Inchi： 1S/C10H18N2/c1-4-5-6-9-7-10(8(2)3)12-11-9/h7-8H,4-6H2,1-3H3,(H,11,12)
- InChI Key： USRQPDZROQQCJA-UHFFFAOYSA-N
- SMILES： N1C(CCCC)=CC(C(C)C)=N1
Computed Properties
- Exact Mass: 166.147
- Monoisotopic Mass: 166.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 123
- 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
1H-Pyrazole,3-butyl-5-(1-methylethyl)-(9CI) Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
442887-08-3 (1H-Pyrazole,3-butyl-5-(1-methylethyl)-(9CI)) Related Products
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