Cas no 3816-85-1 (N-1H-pyrazol-5-ylformamide)
N-1H-pyrazol-5-ylformamide structure
Product Name:N-1H-pyrazol-5-ylformamide
N-1H-pyrazol-5-ylformamide Chemical and Physical Properties
Names and Identifiers
-
- N-1H-pyrazol-5-ylformamide
- N-(1H-pyrazol-5-yl)formamide
- 3816-85-1
- SCHEMBL44842
- DS-001796
- DTXSID00316779
- NSC-306773
- AKOS011962646
- N-(1H-Pyrazol-3-yl)formamide
- N-(2H-PYRAZOL-3-YL)FORMAMIDE
- NSC306773
-
- Inchi： 1S/C4H5N3O/c8-3-5-4-1-2-6-7-4/h1-3H,(H2,5,6,7,8)
- InChI Key： REWYPKAXVAFTLU-UHFFFAOYSA-N
- SMILES： O=CNC1=CC=NN1
Computed Properties
- Exact Mass: 111.04335
- Monoisotopic Mass: 111.043261792g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 85.4
- 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: -0.3
- Topological Polar Surface Area: 57.8?2
Experimental Properties
- PSA: 57.78
N-1H-pyrazol-5-ylformamide Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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