Cas no 1011464-46-2 (2-(5-Amino-1-phenyl-1H-pyrazol-3-yl)-2-methylpropan-1-ol)
1011464-46-2 structure
Product Name:2-(5-Amino-1-phenyl-1H-pyrazol-3-yl)-2-methylpropan-1-ol
CAS No:1011464-46-2
MF:C13H17N3O
MW:231.293582677841
CID:2104477
Update Time:2023-08-03
2-(5-Amino-1-phenyl-1H-pyrazol-3-yl)-2-methylpropan-1-ol Chemical and Physical Properties
Names and Identifiers
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- 2-(5-amino-1-phenyl-1H-pyrazol-3-yl)-2-methylpropan-1-ol
- WNHQXGIDHRDCKF-UHFFFAOYSA-N
- 2-(5-Amino-1-phenyl-1H-pyrazol-3-yl)-2-methylpropan-1-ol
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- Inchi： 1S/C13H17N3O/c1-13(2,9-17)11-8-12(14)16(15-11)10-6-4-3-5-7-10/h3-8,17H,9,14H2,1-2H3
- InChI Key： WNHQXGIDHRDCKF-UHFFFAOYSA-N
- SMILES： OCC(C)(C)C1C=C(N)N(C2C=CC=CC=2)N=1
Computed Properties
- Exact Mass: 231.137
- Monoisotopic Mass: 231.137
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 251
- 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: 64.099
2-(5-Amino-1-phenyl-1H-pyrazol-3-yl)-2-methylpropan-1-ol Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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