Cas no 160416-03-5 (Carbamic acid,(1-ethyl-1H-pyrazol-5-yl)-, 1,1-dimethylethyl ester (9CI))
160416-03-5 structure
Product Name:Carbamic acid,(1-ethyl-1H-pyrazol-5-yl)-, 1,1-dimethylethyl ester (9CI)
CAS No:160416-03-5
MF:C10H17N3O2
MW:211.260882139206
CID:109489
PubChem ID:45092121
Update Time:2025-04-18
Carbamic acid,(1-ethyl-1H-pyrazol-5-yl)-, 1,1-dimethylethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid,(1-ethyl-1H-pyrazol-5-yl)-, 1,1-dimethylethyl ester (9CI)
- Carbamic acid, (1-ethyl-1H-pyrazol-5-yl)-, 1,1-dimethylethyl ester (9CI)
- 160416-03-5
- tert-Butyl (1-ethyl-1H-pyrazol-5-yl)carbamate
-
- Inchi： 1S/C10H17N3O2/c1-5-13-8(6-7-11-13)12-9(14)15-10(2,3)4/h6-7H,5H2,1-4H3,(H,12,14)
- InChI Key： KJXIUEBODJHBHD-UHFFFAOYSA-N
- SMILES： O(C(NC1=CC=NN1CC)=O)C(C)(C)C
Computed Properties
- Exact Mass: 211.13221
- Monoisotopic Mass: 211.132
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 225
- 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: 1.4
- Topological Polar Surface Area: 56.2A^2
Experimental Properties
- PSA: 56.15
Carbamic acid,(1-ethyl-1H-pyrazol-5-yl)-, 1,1-dimethylethyl ester (9CI) Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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