Cas no 122606-07-9 (1H-Pyrazole,1-(ethoxymethyl)-3,5-dimethyl-)
122606-07-9 structure
Product Name:1H-Pyrazole,1-(ethoxymethyl)-3,5-dimethyl-
CAS No:122606-07-9
MF:C8H14N2O
MW:154.209561824799
CID:104445
PubChem ID:45121346
Update Time:2025-04-18
1H-Pyrazole,1-(ethoxymethyl)-3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole,1-(ethoxymethyl)-3,5-dimethyl-
- 1H-Pyrazole, 1-(ethoxymethyl)-3,5-dimethyl-
- 1-(Ethoxymethyl)-3,5-dimethyl-1H-pyrazole
- 122606-07-9
- AKOS014703031
-
- Inchi： 1S/C8H14N2O/c1-4-11-6-10-8(3)5-7(2)9-10/h5H,4,6H2,1-3H3
- InChI Key： QNJQESKNLFFHHK-UHFFFAOYSA-N
- SMILES： O(CC)CN1C(C)=CC(C)=N1
Computed Properties
- Exact Mass: 154.111
- Monoisotopic Mass: 154.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 119
- 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: 27A^2
- XLogP3: 1.3
1H-Pyrazole,1-(ethoxymethyl)-3,5-dimethyl- Related Literature
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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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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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