Cas no 24559-01-1 (1H-Pyrazole, 1,1'-(1,2-ethanediyl)bis[3,5-dimethyl-)
24559-01-1 structure
Product Name:1H-Pyrazole, 1,1'-(1,2-ethanediyl)bis[3,5-dimethyl-
CAS No:24559-01-1
MF:C12H18N4
MW:218.298121929169
CID:1421474
PubChem ID:661322
Update Time:2025-04-20
1H-Pyrazole, 1,1'-(1,2-ethanediyl)bis[3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole
- HMS2282L13
- SCHEMBL17489160
- DTXSID80349787
- 1,2-Bis(3,5-dimethylpyrazol-1-yl)ethane
- STK545992
- AKOS005474487
- SMR000041933
- 1,1'-ethane-1,2-diylbis(3,5-dimethyl-1H-pyrazole)
- MLS000078459
- CHEMBL1353433
- 1H-Pyrazole, 1,1'-(1,2-ethanediyl)bis[3,5-dimethyl-
- 24559-01-1
-
- Inchi： 1S/C12H18N4/c1-9-7-11(3)15(13-9)5-6-16-12(4)8-10(2)14-16/h7-8H,5-6H2,1-4H3
- InChI Key： HEHDQDQKBFFNGD-UHFFFAOYSA-N
- SMILES： N1(C(C)=CC(C)=N1)CCN1C(C)=CC(C)=N1
Computed Properties
- Exact Mass: 218.15334
- Monoisotopic Mass: 218.153146591g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 209
- 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: 1.7
- Topological Polar Surface Area: 35.6?2
Experimental Properties
- PSA: 35.64
1H-Pyrazole, 1,1'-(1,2-ethanediyl)bis[3,5-dimethyl- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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