Cas no 1020057-84-4 (5-amino-1-[3-(trifluoromethyl)phenyl]-1h-pyrazole-3-carbonitrile)
![5-amino-1-[3-(trifluoromethyl)phenyl]-1h-pyrazole-3-carbonitrile structure](https://ossimg.kuujia.com/scimg/1020500/1020057-84-4x500.png)
1020057-84-4 structure
Product Name:5-amino-1-[3-(trifluoromethyl)phenyl]-1h-pyrazole-3-carbonitrile
CAS No:1020057-84-4
MF:C11H7F3N4
MW:252.195291757584
CID:1135013
PubChem ID:24729152
Update Time:2025-04-20
5-amino-1-[3-(trifluoromethyl)phenyl]-1h-pyrazole-3-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 5-amino-1-[3-(trifluoromethyl)phenyl]-1h-pyrazole-3-carbonitrile
- 5-amino-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
- 1H-Pyrazole-3-carbonitrile, 5-amino-1-[3-(trifluoromethyl)phenyl]-
- 1020057-84-4
-
- Inchi： 1S/C11H7F3N4/c12-11(13,14)7-2-1-3-9(4-7)18-10(16)5-8(6-15)17-18/h1-5H,16H2
- InChI Key： QCPSQZLGVLIOLL-UHFFFAOYSA-N
- SMILES： FC(C1=CC=CC(=C1)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: 348
- 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-[3-(trifluoromethyl)phenyl]-1h-pyrazole-3-carbonitrile Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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