Cas no 934-49-6 (1H-Pyrazol-5-ol, 3-methyl-1-(1-methylethyl)-)
934-49-6 structure
Product Name:1H-Pyrazol-5-ol, 3-methyl-1-(1-methylethyl)-
CAS No:934-49-6
MF:C7H12N2O
MW:140.182981491089
CID:752701
PubChem ID:12385114
Update Time:2025-04-19
1H-Pyrazol-5-ol, 3-methyl-1-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazol-5-ol, 3-methyl-1-(1-methylethyl)-
- 5-methyl-2-propan-2-yl-1H-pyrazol-3-one
- AKOS015363318
- SCHEMBL4356452
- DTXSID00495699
- 934-49-6
- SCHEMBL9498657
- 1-Isopropyl-3-methyl-5-pyrazolone
- 5-Methyl-2-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one
- 1-Isopropyl-3-methyl-1H-pyrazol-5-ol
-
- Inchi： 1S/C7H12N2O/c1-5(2)9-7(10)4-6(3)8-9/h4-5,8H,1-3H3
- InChI Key： WMVAMIIAEIQDTR-UHFFFAOYSA-N
- SMILES： O=C1C=C(C)NN1C(C)C
Computed Properties
- Exact Mass: 140.094963011g/mol
- Monoisotopic Mass: 140.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 184
- 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: 1.1
- Topological Polar Surface Area: 32.3?2
1H-Pyrazol-5-ol, 3-methyl-1-(1-methylethyl)- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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