Cas no 24630-93-1 (3H-Pyrazol-3-one, 5-amino-2,4-dihydro-2-(4-methoxyphenyl)-)
24630-93-1 structure
Product Name:3H-Pyrazol-3-one, 5-amino-2,4-dihydro-2-(4-methoxyphenyl)-
CAS No:24630-93-1
MF:C10H11N3O2
MW:205.213241815567
CID:1422113
PubChem ID:13141237
Update Time:2025-04-20
3H-Pyrazol-3-one, 5-amino-2,4-dihydro-2-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Pyrazol-3-one, 5-amino-2,4-dihydro-2-(4-methoxyphenyl)-
- 5-amino-2-(4-methoxyphenyl)-4H-pyrazol-3-one
- 3-amino-1-(4-methoxyphenyl)-1H-pyrazol-5(4H)-one
- AKOS002316020
- STK263302
- DTXSID70521272
- 5-amino-2-(4-methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one
- 24630-93-1
-
- Inchi： 1S/C10H11N3O2/c1-15-8-4-2-7(3-5-8)13-10(14)6-9(11)12-13/h2-5H,6H2,1H3,(H2,11,12)
- InChI Key： JOSOROFXSKQGSW-UHFFFAOYSA-N
- SMILES： O=C1CC(N)=NN1C1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 205.08523
- Monoisotopic Mass: 205.085126602g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 282
- 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: 67.9?2
Experimental Properties
- PSA: 67.92
3H-Pyrazol-3-one, 5-amino-2,4-dihydro-2-(4-methoxyphenyl)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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