Cas no 879399-76-5 (Piperidine, 4-[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-)
![Piperidine, 4-[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]- structure](https://ossimg.kuujia.com/scimg/879500/879399-76-5x500.png)
879399-76-5 structure
Product Name:Piperidine, 4-[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-
CAS No:879399-76-5
MF:C11H16F3N3
MW:247.260052680969
CID:650518
PubChem ID:11608470
Update Time:2025-04-19
Piperidine, 4-[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]- Chemical and Physical Properties
Names and Identifiers
-
- Piperidine, 4-[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-
- 4-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine
- RBASZOXLGJCZLD-UHFFFAOYSA-N
- 879399-76-5
- DTXSID50469380
- SCHEMBL4229913
-
- Inchi： 1S/C11H16F3N3/c1-8-6-10(9-2-4-15-5-3-9)17(16-8)7-11(12,13)14/h6,9,15H,2-5,7H2,1H3
- InChI Key： RBASZOXLGJCZLD-UHFFFAOYSA-N
- SMILES： FC(CN1C(=CC(C)=N1)C1CCNCC1)(F)F
Computed Properties
- Exact Mass: 247.12963201g/mol
- Monoisotopic Mass: 247.12963201g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 251
- 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: 1.8
- Topological Polar Surface Area: 29.8?2
Piperidine, 4-[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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