Cas no 663179-80-4 (1-Tert-butyl-3,5-dimethylpyrazole-4-carbonitrile)
663179-80-4 structure
Product Name:1-Tert-butyl-3,5-dimethylpyrazole-4-carbonitrile
CAS No:663179-80-4
MF:C10H15N3
MW:177.246201753616
CID:2857930
PubChem ID:2804894
Update Time:2024-03-01
1-Tert-butyl-3,5-dimethylpyrazole-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1-(tert-butyl)-3,5-dimethyl-1H-pyrazole-4-carbonitrile
- Maybridge3_000960
- 1-tert-butyl-3,5-dimethylpyrazole-4-carbonitrile
- HMS1433L14
- IDI1_012347
- 1-Tert-butyl-3,5-dimethylpyrazole-4-carbonitrile
-
- Inchi： 1S/C10H15N3/c1-7-9(6-11)8(2)13(12-7)10(3,4)5/h1-5H3
- InChI Key： CUVTYNNJLCVMIF-UHFFFAOYSA-N
- SMILES： N1(C(C)=C(C#N)C(C)=N1)C(C)(C)C
Computed Properties
- Exact Mass: 177.126597491g/mol
- Monoisotopic Mass: 177.126597491g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 232
- 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: 41.6
1-Tert-butyl-3,5-dimethylpyrazole-4-carbonitrile Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Jason Wan Lab Chip, 2020,20, 4528-4538
663179-80-4 (1-Tert-butyl-3,5-dimethylpyrazole-4-carbonitrile) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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