Cas no 787618-47-7 (1H-Pyrazole, 4-(2,3-dimethylphenyl)-1-(phenylmethyl)-)
787618-47-7 structure
Product Name:1H-Pyrazole, 4-(2,3-dimethylphenyl)-1-(phenylmethyl)-
CAS No:787618-47-7
MF:C18H18N2
MW:262.348924160004
CID:1793999
PubChem ID:86007934
Update Time:2025-04-21
1H-Pyrazole, 4-(2,3-dimethylphenyl)-1-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole, 4-(2,3-dimethylphenyl)-1-(phenylmethyl)-
- HS-5073
- 1-Benzyl-4-(2,3-dimethylphenyl)-1H-pyrazole
- 787618-47-7
-
- Inchi： 1S/C18H18N2/c1-14-7-6-10-18(15(14)2)17-11-19-20(13-17)12-16-8-4-3-5-9-16/h3-11,13H,12H2,1-2H3
- InChI Key： SSZKIYKKXFJTDJ-UHFFFAOYSA-N
- SMILES： N1(C=C(C=N1)C1C=CC=C(C)C=1C)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 262.146998583g/mol
- Monoisotopic Mass: 262.146998583g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 298
- 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: 4.2
- Topological Polar Surface Area: 17.8?2
1H-Pyrazole, 4-(2,3-dimethylphenyl)-1-(phenylmethyl)- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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