Cas no 1020722-52-4 (4-Bromo-1-ethyl-3-propyl-1H-pyrazole-5-carboxylic acid)
1020722-52-4 structure
Product Name:4-Bromo-1-ethyl-3-propyl-1H-pyrazole-5-carboxylic acid
CAS No:1020722-52-4
MF:C9H13BrN2O2
MW:261.115721464157
CID:2625982
PubChem ID:24728985
Update Time:2025-04-21
4-Bromo-1-ethyl-3-propyl-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-5-carboxylic acid, 4-bromo-1-ethyl-3-propyl-
- 4-bromo-2-ethyl-5-propylpyrazole-3-carboxylic acid
- 1020722-52-4
- 4-Bromo-1-ethyl-3-propyl-1H-pyrazole-5-carboxylic acid
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- Inchi： 1S/C9H13BrN2O2/c1-3-5-6-7(10)8(9(13)14)12(4-2)11-6/h3-5H2,1-2H3,(H,13,14)
- InChI Key： INIDRSNKAMWSTC-UHFFFAOYSA-N
- SMILES： BrC1=C(C(=O)O)N(CC)N=C1CCC
Computed Properties
- Exact Mass: 260.01604g/mol
- Monoisotopic Mass: 260.01604g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 213
- 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
- Molecular Weight: 261.12g/mol
- XLogP3: 2.3
- Topological Polar Surface Area: 55.1?2
4-Bromo-1-ethyl-3-propyl-1H-pyrazole-5-carboxylic acid Related Literature
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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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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
1020722-52-4 (4-Bromo-1-ethyl-3-propyl-1H-pyrazole-5-carboxylic acid) Related Products
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