Cas no 646037-39-0 (1H-Pyrazol-4-amine, 1-(3,5-difluorophenyl)-)
646037-39-0 structure
Product Name:1H-Pyrazol-4-amine, 1-(3,5-difluorophenyl)-
CAS No:646037-39-0
MF:C9H7F2N3
MW:195.168788194656
CID:422312
PubChem ID:58778238
Update Time:2025-04-19
1H-Pyrazol-4-amine, 1-(3,5-difluorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazol-4-amine, 1-(3,5-difluorophenyl)-
- 1-(3,5-difluorophenyl)pyrazol-4-amine
- DTXSID40730011
- AKOS015947418
- SCHEMBL3660202
- 1-(3,5-Difluorophenyl)-1H-pyrazol-4-amine
- 646037-39-0
-
- Inchi： 1S/C9H7F2N3/c10-6-1-7(11)3-9(2-6)14-5-8(12)4-13-14/h1-5H,12H2
- InChI Key： OIIPUFNXGPIVCV-UHFFFAOYSA-N
- SMILES： FC1C=C(C=C(C=1)N1C=C(C=N1)N)F
Computed Properties
- Exact Mass: 195.06091
- Monoisotopic Mass: 195.06080356g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 193
- 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: 1.4
- Topological Polar Surface Area: 43.8?2
Experimental Properties
- PSA: 43.84
1H-Pyrazol-4-amine, 1-(3,5-difluorophenyl)- Related Literature
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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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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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
646037-39-0 (1H-Pyrazol-4-amine, 1-(3,5-difluorophenyl)-) Related Products
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