Cas no 856063-90-6 (1H-Pyrazole,3,4,5-trimethyl-1-propyl-)
856063-90-6 structure
Product Name:1H-Pyrazole,3,4,5-trimethyl-1-propyl-
CAS No:856063-90-6
MF:C9H16N2
MW:152.236742019653
CID:717488
Update Time:2024-01-31
1H-Pyrazole,3,4,5-trimethyl-1-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole,3,4,5-trimethyl-1-propyl-
- Pyrazole, 3,4,5-trimethyl-1-propyl- (3CI)
- Pyrazole, 3,4,5-trimethyl-1-propyl- (3CI)
-
- Inchi： 1S/C9H16N2/c1-5-6-11-9(4)7(2)8(3)10-11/h5-6H2,1-4H3
- InChI Key： GRMWOUKIBPKQMH-UHFFFAOYSA-N
- SMILES： N1(CCC)C(C)=C(C)C(C)=N1
Computed Properties
- Exact Mass: 152.131
- Monoisotopic Mass: 152.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 125
- 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: 17.8A^2
1H-Pyrazole,3,4,5-trimethyl-1-propyl- Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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