Cas no 106236-80-0 (Formamide, N-(2,3-dihydro-5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-)
106236-80-0 structure
Product Name:Formamide, N-(2,3-dihydro-5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
CAS No:106236-80-0
MF:C11H11N3O2
MW:217.223942041397
CID:97337
PubChem ID:46859209
Update Time:2025-04-18
Formamide, N-(2,3-dihydro-5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)- Chemical and Physical Properties
Names and Identifiers
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- Formamide, N-(2,3-dihydro-5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
- Formamide, N-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-
- N-(3-Methyl-5-oxo-1-phenyl-2H-pyrazol-4-yl)formamide
- UNII-MHK65UC7JU
- MHK65UC7JU
- (5-Methyl-3-oxo-2-phenyl-1,2-dihydro-3H-pyrazole-4-yl)formamide
- 106236-80-0
- N-(2,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)formamide
-
- Inchi： 1S/C11H11N3O2/c1-8-10(12-7-15)11(16)14(13-8)9-5-3-2-4-6-9/h2-7,13H,1H3,(H,12,15)
- InChI Key： IODOHLFZJQZMTR-UHFFFAOYSA-N
- SMILES： O=C1C(=C(C)NN1C1C=CC=CC=1)NC=O
Computed Properties
- Exact Mass: 217.08523
- Monoisotopic Mass: 217.085126602g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 332
- 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: 61.4?2
Experimental Properties
- PSA: 61.44
Formamide, N-(2,3-dihydro-5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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4. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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