Cas no 22283-31-4 (1H-Pyrazole-5-carboxamide,4-amino-3-(hydroxymethyl)-)
22283-31-4 structure
Product Name:1H-Pyrazole-5-carboxamide,4-amino-3-(hydroxymethyl)-
CAS No:22283-31-4
MF:C5H8N4O2
MW:156.14262008667
CID:250652
PubChem ID:45122070
Update Time:2025-04-19
1H-Pyrazole-5-carboxamide,4-amino-3-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-5-carboxamide,4-amino-3-(hydroxymethyl)-
- 1H-Pyrazole-3-carboxamide,4-amino-5-(hydroxymethyl)- (9CI)
- Pyrazole-3-carboxamide,4-amino-5-(hydroxymethyl)- (8CI)
- 4-amino-5-(hydroxymethyl)-1H-pyrazole-3-carboxamide
- 22283-31-4
-
- Inchi： 1S/C5H8N4O2/c6-3-2(1-10)8-9-4(3)5(7)11/h10H,1,6H2,(H2,7,11)(H,8,9)
- InChI Key： RYYLTQHFXUUCDD-UHFFFAOYSA-N
- SMILES： OCC1=C(C(C(N)=O)=NN1)N
Computed Properties
- Exact Mass: 156.06484
- Monoisotopic Mass: 156.065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 163
- 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
- Topological Polar Surface Area: 118A^2
- XLogP3: -1.6
Experimental Properties
- PSA: 118.02
1H-Pyrazole-5-carboxamide,4-amino-3-(hydroxymethyl)- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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