Cas no 90648-18-3 (3-(3,4,5-Trimethyl-1H-pyrazol-1-yl)propanenitrile)
90648-18-3 structure
Product Name:3-(3,4,5-Trimethyl-1H-pyrazol-1-yl)propanenitrile
CAS No:90648-18-3
MF:C9H13N3
MW:163.219621419907
CID:4719383
Update Time:2023-08-16
3-(3,4,5-Trimethyl-1H-pyrazol-1-yl)propanenitrile Chemical and Physical Properties
Names and Identifiers
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- 3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanenitrile
- STK503259
- 3-(trimethylpyrazol-1-yl)propanenitrile
- 3-(3,4,5-Trimethyl-1H-pyrazol-1-yl)propanenitrile
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- Inchi: 1S/C9H13N3/c1-7-8(2)11-12(9(7)3)6-4-5-10/h4,6H2,1-3H3
- InChI Key: BJOFVZOORDMPBQ-UHFFFAOYSA-N
- SMILES: N1(CCC#N)C(C)=C(C)C(C)=N1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 193
- Topological Polar Surface Area: 41.6
3-(3,4,5-Trimethyl-1H-pyrazol-1-yl)propanenitrile Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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