Cas no 1020057-82-2 (5-amino-1-[4-(trifluoromethyl)phenyl]-1h-pyrazole-3-carbonitrile)
![5-amino-1-[4-(trifluoromethyl)phenyl]-1h-pyrazole-3-carbonitrile structure](https://ossimg.kuujia.com/scimg/1020500/1020057-82-2x500.png)
1020057-82-2 structure
Product Name:5-amino-1-[4-(trifluoromethyl)phenyl]-1h-pyrazole-3-carbonitrile
CAS No:1020057-82-2
MF:C11H7F3N4
MW:252.195291757584
CID:1131195
PubChem ID:24729151
Update Time:2025-04-20
5-amino-1-[4-(trifluoromethyl)phenyl]-1h-pyrazole-3-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 5-amino-1-[4-(trifluoromethyl)phenyl]-1h-pyrazole-3-carbonitrile
- ACLSGDHCGNTOPL-UHFFFAOYSA-N
- 1H-Pyrazole-3-carbonitrile, 5-amino-1-[4-(trifluoromethyl)phenyl]-
- 1020057-82-2
- 5-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
-
- Inchi： 1S/C11H7F3N4/c12-11(13,14)7-1-3-9(4-2-7)18-10(16)5-8(6-15)17-18/h1-5H,16H2
- InChI Key： ACLSGDHCGNTOPL-UHFFFAOYSA-N
- SMILES： FC(C1C=CC(=CC=1)N1C(=CC(C#N)=N1)N)(F)F
Computed Properties
- Exact Mass: 252.062281g/mol
- Monoisotopic Mass: 252.062281g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 340
- 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
- Molecular Weight: 252.2g/mol
- XLogP3: 2.5
- Topological Polar Surface Area: 67.6?2
5-amino-1-[4-(trifluoromethyl)phenyl]-1h-pyrazole-3-carbonitrile Related Literature
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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