Cas no 165743-59-9 (1H-Pyrazole-3-carboxylicacid, 1,5-diethyl-)
165743-59-9 structure
Product Name:1H-Pyrazole-3-carboxylicacid, 1,5-diethyl-
CAS No:165743-59-9
MF:C8H12N2O2
MW:168.193081855774
CID:110687
PubChem ID:22145375
Update Time:2025-04-18
1H-Pyrazole-3-carboxylicacid, 1,5-diethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carboxylicacid, 1,5-diethyl-
- 1,5-diethylpyrazole-3-carboxylic acid
- 1H-Pyrazole-3-carboxylicacid,1,5-diethyl-(9CI)
- 165743-59-9
- SCHEMBL3577067
- 1,5-Diethyl-1H-pyrazole-3-carboxylic acid
- ORRPVDRMUOYUKM-UHFFFAOYSA-N
- DTXSID30622895
- 1,5-Diethylpyrazole-3-carboxlic acid
-
- Inchi： 1S/C8H12N2O2/c1-3-6-5-7(8(11)12)9-10(6)4-2/h5H,3-4H2,1-2H3,(H,11,12)
- InChI Key： ORRPVDRMUOYUKM-UHFFFAOYSA-N
- SMILES： OC(C1C=C(CC)N(CC)N=1)=O
Computed Properties
- Exact Mass: 168.089877630g/mol
- Monoisotopic Mass: 168.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 172
- 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: 1.2
- Topological Polar Surface Area: 55.1?2
1H-Pyrazole-3-carboxylicacid, 1,5-diethyl- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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