Cas no 442886-94-4 (1H-Pyrazole,3-(1-methylethyl)-5-propyl-)
442886-94-4 structure
Product Name:1H-Pyrazole,3-(1-methylethyl)-5-propyl-
CAS No:442886-94-4
MF:C9H16N2
MW:152.236742019653
CID:327415
Update Time:2022-09-22
1H-Pyrazole,3-(1-methylethyl)-5-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole,3-(1-methylethyl)-5-propyl-
- 1H-Pyrazole,3-(1-methylethyl)-5-propyl-(9CI)
- 3-propan-2-yl-5-propyl-1H-pyrazole
-
- Inchi： 1S/C9H16N2/c1-4-5-8-6-9(7(2)3)11-10-8/h6-7H,4-5H2,1-3H3,(H,10,11)
- InChI Key： GYAWDICGIDXLDJ-UHFFFAOYSA-N
- SMILES： N1C(CCC)=CC(C(C)C)=N1
Computed Properties
- Exact Mass: 152.131
- Monoisotopic Mass: 152.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 112
- 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: 28.7A^2
1H-Pyrazole,3-(1-methylethyl)-5-propyl- Related Literature
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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