Cas no 1012879-84-3 (2-(5-Amino-1-phenyl-1H-pyrazol-3-yl)-2-methylpropanenitrile)
1012879-84-3 structure
Product Name:2-(5-Amino-1-phenyl-1H-pyrazol-3-yl)-2-methylpropanenitrile
CAS No:1012879-84-3
MF:C13H14N4
MW:226.27706193924
CID:2104478
Update Time:2023-08-03
2-(5-Amino-1-phenyl-1H-pyrazol-3-yl)-2-methylpropanenitrile Chemical and Physical Properties
Names and Identifiers
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- 2-(5-amino-1-phenyl-1H-pyrazol-3-yl)-2-methylpropanenitrile
- TWAYNTXSFMMZIG-UHFFFAOYSA-N
- 2-(5-amino-1-phenyl-1H-pyrazol-3-yl)-2-methyl-propionitrile
- 2-(5-amino-1-phenyl-1 H-pyrazol-3-yl)-2-methylpropanenitrile
- 2-(5-amino-1-phenyl-1 H-pyrazol-3-yl)-2-methyl-propionitrile
- 2-(5-Amino-1-phenyl-1H-pyrazol-3-yl)-2-methylpropanenitrile
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- Inchi： 1S/C13H14N4/c1-13(2,9-14)11-8-12(15)17(16-11)10-6-4-3-5-7-10/h3-8H,15H2,1-2H3
- InChI Key： TWAYNTXSFMMZIG-UHFFFAOYSA-N
- SMILES： N1(C2C=CC=CC=2)C(=CC(C(C#N)(C)C)=N1)N
Computed Properties
- Exact Mass: 226.122
- Monoisotopic Mass: 226.122
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 311
- 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
- Topological Polar Surface Area: 67.6
2-(5-Amino-1-phenyl-1H-pyrazol-3-yl)-2-methylpropanenitrile Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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