HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 58778021Generated: October 27, 2026
1-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-1H-pyrazole-3,5-dicarboxylic acid diethyl ester
https://huagongshe.com/en/chemical/58778021
Identifiers & Physical Properties
| Molecular formula | C21H25FN4O5 |
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| Average molar mass | 432.4 g/mol |
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| SMILES | CCOC(=O)c1cc(C(=O)OCC)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)n1 |
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| InChIKey | MDJHSSJHBRMILK-UHFFFAOYSA-N |
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| PubChem CID | 58778021 |
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Chemical & Physical Properties
| XLogP | 2.7 |
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| Topological polar surface area | 94 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 31 |
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| Formal charge | 0 |
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| Complexity | 635 |
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![1-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-1H-pyrazole-3,5-dicarboxylic acid diethyl ester molecular structure](/img/chemical/58778021.png)