HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 46189879Generated: October 23, 2026
Methyl 2-({4-[3-(3,4-dimethoxyphenyl)-4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]piperidin-1-yl}sulfonyl)benzoate
https://huagongshe.com/en/chemical/46189879
Identifiers & Physical Properties
| Molecular formula | C26H31N3O7S |
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| Average molar mass | 529.6 g/mol |
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| SMILES | COC(=O)c1ccccc1S(=O)(=O)N1CCC(N2N=C(c3ccc(OC)c(OC)c3)C(C)(C)C2=O)CC1 |
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| InChIKey | ZYHGWTRFQOGZCQ-UHFFFAOYSA-N |
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| PubChem CID | 46189879 |
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Chemical & Physical Properties
| XLogP | 3.5 |
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| Topological polar surface area | 123 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 37 |
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| Formal charge | 0 |
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| Complexity | 985 |
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![Methyl 2-({4-[3-(3,4-dimethoxyphenyl)-4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]piperidin-1-yl}sulfonyl)benzoate molecular structure](/img/chemical/46189879.png)