Cas no 89967-33-9 (1H-Pyrazole-3-carboxylic acid, 5-pentyl-, ethyl ester)
89967-33-9 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 5-pentyl-, ethyl ester
CAS No:89967-33-9
MF:C11H18N2O2
MW:210.272822856903
CID:584571
PubChem ID:13153554
Update Time:2025-04-19
1H-Pyrazole-3-carboxylic acid, 5-pentyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carboxylic acid, 5-pentyl-, ethyl ester
- ethyl 5-pentyl-1H-pyrazole-3-carboxylate
- 89967-33-9
- SCHEMBL9367631
- DTXSID70522562
-
- Inchi： 1S/C11H18N2O2/c1-3-5-6-7-9-8-10(13-12-9)11(14)15-4-2/h8H,3-7H2,1-2H3,(H,12,13)
- InChI Key： PTQROBNHOISTRP-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=C(CCCCC)NN=1)=O
Computed Properties
- Exact Mass: 210.136827821g/mol
- Monoisotopic Mass: 210.136827821g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 197
- 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: 3
- Topological Polar Surface Area: 55?2
1H-Pyrazole-3-carboxylic acid, 5-pentyl-, ethyl ester Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
89967-33-9 (1H-Pyrazole-3-carboxylic acid, 5-pentyl-, ethyl ester) Related Products
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