Cas no 146877-51-2 (3H-Pyrazol-3-one,4-amino-1,2-dihydro-1,5-dimethyl-)
146877-51-2 structure
Product Name:3H-Pyrazol-3-one,4-amino-1,2-dihydro-1,5-dimethyl-
CAS No:146877-51-2
MF:C5H9N3O
MW:127.144460439682
CID:100980
PubChem ID:45092821
Update Time:2025-04-18
3H-Pyrazol-3-one,4-amino-1,2-dihydro-1,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Pyrazol-3-one,4-amino-1,2-dihydro-1,5-dimethyl-
- 3H-Pyrazol-3-one,4-amino-1,2-dihydro-1,5-dimethyl-(9CI)
- AKOS006350985
- 4-Amino-1,5-dimethyl-1H-pyrazol-3(2H)-one
- 146877-51-2
-
- Inchi： 1S/C5H9N3O/c1-3-4(6)5(9)7-8(3)2/h6H2,1-2H3,(H,7,9)
- InChI Key： RAVMVCJNQFLJPG-UHFFFAOYSA-N
- SMILES： O=C1C(=C(C)N(C)N1)N
Computed Properties
- Exact Mass: 127.075
- Monoisotopic Mass: 127.075
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 185
- 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: 58.4A^2
- XLogP3: -0.2
3H-Pyrazol-3-one,4-amino-1,2-dihydro-1,5-dimethyl- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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