Cas no 885609-02-9 (1H-Pyrazole, 4,4'-[1,3-phenylenebis(methylene)]bis[3,5-dimethyl-)
![1H-Pyrazole, 4,4'-[1,3-phenylenebis(methylene)]bis[3,5-dimethyl- structure](https://ossimg.kuujia.com/scimg/886000/885609-02-9x500.png)
885609-02-9 structure
Product Name:1H-Pyrazole, 4,4'-[1,3-phenylenebis(methylene)]bis[3,5-dimethyl-
CAS No:885609-02-9
MF:C18H22N4
MW:294.394083499908
CID:1928472
PubChem ID:71408314
Update Time:2025-04-21
1H-Pyrazole, 4,4'-[1,3-phenylenebis(methylene)]bis[3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 4,4'-[1,3-phenylenebis(methylene)]bis[3,5-dimethyl-
- 4-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-1H-pyrazole
- 885609-02-9
- 4,4'-[1,3-Phenylenebis(methylene)]bis(3,5-dimethyl-1H-pyrazole)
- DTXSID10828272
-
- Inchi： 1S/C18H22N4/c1-11-17(12(2)20-19-11)9-15-6-5-7-16(8-15)10-18-13(3)21-22-14(18)4/h5-8H,9-10H2,1-4H3,(H,19,20)(H,21,22)
- InChI Key： HTSPKIMKLXWHOA-UHFFFAOYSA-N
- SMILES： N1C(C)=C(C(C)=N1)CC1C=CC=C(C=1)CC1C(C)=NNC=1C
Computed Properties
- Exact Mass: 294.18444672Da
- Monoisotopic Mass: 294.18444672Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 329
- 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
- Topological Polar Surface Area: 57.4?2
1H-Pyrazole, 4,4'-[1,3-phenylenebis(methylene)]bis[3,5-dimethyl- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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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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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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