Cas no 790652-93-6 (1H-Pyrazole-1-propanol,4,5-diamino-)
790652-93-6 structure
Product Name:1H-Pyrazole-1-propanol,4,5-diamino-
CAS No:790652-93-6
MF:C6H12N4O
MW:156.185680389404
CID:555254
PubChem ID:13007232
Update Time:2025-04-19
1H-Pyrazole-1-propanol,4,5-diamino- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-1-propanol,4,5-diamino-
- SCHEMBL5398725
- 790652-93-6
- 3-(4,5-Diamino-1H-pyrazol-1-yl)propan-1-ol
-
- Inchi： 1S/C6H12N4O/c7-5-4-9-10(6(5)8)2-1-3-11/h4,11H,1-3,7-8H2
- InChI Key： PEFRFJNQCSLCNW-UHFFFAOYSA-N
- SMILES： OCCCN1C(=C(C=N1)N)N
Computed Properties
- Exact Mass: 156.10111102g/mol
- Monoisotopic Mass: 156.10111102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 121
- 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: -1.2
- Topological Polar Surface Area: 90.1?2
1H-Pyrazole-1-propanol,4,5-diamino- Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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