Cas no 7169-22-4 (2-methyl-N-(1-methylethyl)-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide)
![2-methyl-N-(1-methylethyl)-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide structure](https://ossimg.kuujia.com/scimg/7500/7169-22-4x500.png)
7169-22-4 structure
Product Name:2-methyl-N-(1-methylethyl)-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
CAS No:7169-22-4
MF:C12H18F3N3O
MW:277.286033153534
CID:1753866
PubChem ID:5241859
Update Time:2025-04-21
2-methyl-N-(1-methylethyl)-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-N-(1-methylethyl)-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
- 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide
- STL399558
- N-ISOPROPYL-2-METHYL-3-[5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]PROPANAMIDE
- 7169-22-4
- DTXSID70412616
- AKOS003747273
- CHEMBL3445957
- 2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(propan-2-yl)propanamide
-
- Inchi： 1S/C12H18F3N3O/c1-7(2)16-11(19)8(3)6-18-9(4)5-10(17-18)12(13,14)15/h5,7-8H,6H2,1-4H3,(H,16,19)
- InChI Key： DZIFXLOAMYJHSQ-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C)N(CC(C)C(NC(C)C)=O)N=1)(F)F
Computed Properties
- Exact Mass: 277.14034
- Monoisotopic Mass: 277.14
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 320
- 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: 46.9A^2
- XLogP3: 2.1
Experimental Properties
- Density: 1.23
- Boiling Point: 382°C at 760 mmHg
- Flash Point: 184.8°C
- Refractive Index: 1.493
- PSA: 46.92
2-methyl-N-(1-methylethyl)-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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