Cas no 81329-48-8 (1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole)
81329-48-8 structure
Product Name:1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole
CAS No:81329-48-8
MF:C11H11FN2
MW:190.216845750809
CID:2138499
PubChem ID:21724113
Update Time:2025-04-21
1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole
- SCHEMBL4515430
- AKOS005153930
- 1H-Pyrazole, 1-(4-fluorophenyl)-3,5-dimethyl-
- 81329-48-8
- ZIJUTMPYXMDKLO-UHFFFAOYSA-N
- DTXSID201263425
- DB-290740
-
- Inchi： 1S/C11H11FN2/c1-8-7-9(2)14(13-8)11-5-3-10(12)4-6-11/h3-7H,1-2H3
- InChI Key： ZIJUTMPYXMDKLO-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1)N1C(C)=CC(C)=N1
Computed Properties
- Exact Mass: 190.09062652Da
- Monoisotopic Mass: 190.09062652Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 190
- 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: 2.8
- Topological Polar Surface Area: 17.8?2
1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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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