Cas no 852814-92-7 (1H-Pyrazole-3-carboxylic acid,5-[4-(1,1-dimethylethyl)phenyl]-1-methyl-, ethyl ester)
![1H-Pyrazole-3-carboxylic acid,5-[4-(1,1-dimethylethyl)phenyl]-1-methyl-, ethyl ester structure](https://ossimg.kuujia.com/scimg/853000/852814-92-7x500.png)
852814-92-7 structure
Product Name:1H-Pyrazole-3-carboxylic acid,5-[4-(1,1-dimethylethyl)phenyl]-1-methyl-, ethyl ester
CAS No:852814-92-7
MF:C17H22N2O2
MW:286.368784427643
CID:1835829
PubChem ID:24776633
Update Time:2025-04-21
1H-Pyrazole-3-carboxylic acid,5-[4-(1,1-dimethylethyl)phenyl]-1-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carboxylic acid,5-[4-(1,1-dimethylethyl)phenyl]-1-methyl-, ethyl ester
- SCHEMBL4693346
- DB-171383
- Ethyl 5-(4-(tert-butyl)phenyl)-1-methyl-1H-pyrazole-3-carboxylate
- 852814-92-7
-
- Inchi： 1S/C17H22N2O2/c1-6-21-16(20)14-11-15(19(5)18-14)12-7-9-13(10-8-12)17(2,3)4/h7-11H,6H2,1-5H3
- InChI Key： VSDPPLKOXINIMO-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=C(C2C=CC(=CC=2)C(C)(C)C)N(C)N=1)=O
Computed Properties
- Exact Mass: 286.168127949g/mol
- Monoisotopic Mass: 286.168127949g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 356
- 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: 4.1
- Topological Polar Surface Area: 44.1?2
1H-Pyrazole-3-carboxylic acid,5-[4-(1,1-dimethylethyl)phenyl]-1-methyl-, ethyl ester Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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