Cas no 1273550-48-3 (5-Methyl-3-(4-methyl-3-nitro-phenyl)-1H-pyrazole)
1273550-48-3 structure
Product Name:5-Methyl-3-(4-methyl-3-nitro-phenyl)-1H-pyrazole
CAS No:1273550-48-3
MF:C11H11N3O2
MW:217.223942041397
CID:2106256
Update Time:2023-08-03
5-Methyl-3-(4-methyl-3-nitro-phenyl)-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
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- 3-methyl-5-(4-methyl-3-nitrophenyl)-1H-Pyrazole
- 1H-Pyrazole,5-methyl-3-(4-methyl-3-nitrophenyl)-
- 1H-Pyrazole,3-methyl-5-(4-methyl-3-nitrophenyl)-
- ZZIPACRSBKCUPX-UHFFFAOYSA-N
- 5-methyl-3-(4-methyl-3-nitro-phenyl)-1H-pyrazole
- 1H-Pyrazole, 5-methyl-3-(4-methyl-3-nitrophenyl)-
- 1H-Pyrazole, 3-methyl-5-(4-methyl-3-nitrophenyl)-
- 5-Methyl-3-(4-methyl-3-nitro-phenyl)-1H-pyrazole
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- Inchi： 1S/C11H11N3O2/c1-7-3-4-9(6-11(7)14(15)16)10-5-8(2)12-13-10/h3-6H,1-2H3,(H,12,13)
- InChI Key： ZZIPACRSBKCUPX-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=CC=1C)C1C=C(C)NN=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 266
- Topological Polar Surface Area: 74.5
5-Methyl-3-(4-methyl-3-nitro-phenyl)-1H-pyrazole Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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