Cas no 7231-20-1 (5-phenyl-1H-pyrazol-2-ium)
5-phenyl-1H-pyrazol-2-ium structure
Product Name:5-phenyl-1H-pyrazol-2-ium
CAS No:7231-20-1
MF:C9H9N2
MW:145.181161642075
CID:1754960
PubChem ID:5247653
Update Time:2025-04-21
5-phenyl-1H-pyrazol-2-ium Chemical and Physical Properties
Names and Identifiers
-
- 5-phenyl-1H-pyrazol-2-ium
- 1H-pyrazole, 5-phenyl-, conjugate monoacid
- 5-Phenyl-1H-pyrazol-1-ium
- DTXSID40413059
- 7231-20-1
-
- Inchi： 1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)/p+1
- InChI Key： OEDUIFSDODUDRK-UHFFFAOYSA-O
- SMILES： N1C(=CC=[NH+]1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 145.07667
- Monoisotopic Mass: 145.076573296g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 119
- 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: 2.6
- Topological Polar Surface Area: 29.9?2
Experimental Properties
- PSA: 29.93
5-phenyl-1H-pyrazol-2-ium Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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