Cas no 725746-97-4 (Ethanone, 1-[5-methyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]-)
![Ethanone, 1-[5-methyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]- structure](https://ossimg.kuujia.com/scimg/726000/725746-97-4x500.png)
725746-97-4 structure
Product Name:Ethanone, 1-[5-methyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]-
CAS No:725746-97-4
MF:C10H16N2O
MW:180.246842384338
CID:4159149
PubChem ID:23088363
Update Time:2025-04-24
Ethanone, 1-[5-methyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-[5-methyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]-
- 1-[5-Methyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]ethanone
- 725746-97-4
- SCHEMBL6155240
- DTXSID701204234
-
- Inchi： 1S/C10H16N2O/c1-7(2)6-12-8(3)10(5-11-12)9(4)13/h5,7H,6H2,1-4H3
- InChI Key： APILUAXCJJYKHC-UHFFFAOYSA-N
- SMILES： C(=O)(C1=C(C)N(CC(C)C)N=C1)C
Computed Properties
- Exact Mass: 180.126263138Da
- Monoisotopic Mass: 180.126263138Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 191
- 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: 34.9?2
Ethanone, 1-[5-methyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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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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