Cas no 61354-80-1 (1H-Pyrazole-4-carboxylic acid, 1-methyl-3-(2-thienyl)-, ethyl ester)
61354-80-1 structure
Product Name:1H-Pyrazole-4-carboxylic acid, 1-methyl-3-(2-thienyl)-, ethyl ester
CAS No:61354-80-1
MF:C11H12N2O2S
MW:236.290181159973
CID:482665
PubChem ID:12343425
Update Time:2025-04-19
1H-Pyrazole-4-carboxylic acid, 1-methyl-3-(2-thienyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxylic acid, 1-methyl-3-(2-thienyl)-, ethyl ester
- ethyl 1-methyl-3-thiophen-2-ylpyrazole-4-carboxylate
- DTXSID10492437
- Ethyl 1-methyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylate
- 61354-80-1
-
- Inchi： 1S/C11H12N2O2S/c1-3-15-11(14)8-7-13(2)12-10(8)9-5-4-6-16-9/h4-7H,3H2,1-2H3
- InChI Key： KYXOZTOIESVTFX-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C1C(C(=O)OCC)=CN(C)N=1
Computed Properties
- Exact Mass: 236.06206
- Monoisotopic Mass: 236.06194880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 262
- 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: 1.8
- Topological Polar Surface Area: 72.4?2
Experimental Properties
- PSA: 44.12
1H-Pyrazole-4-carboxylic acid, 1-methyl-3-(2-thienyl)-, ethyl ester Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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