HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12972729Generated: October 27, 2026
5-Methanesulfonyl-2-[5-(4-methoxy-3-methyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-pyridine
https://huagongshe.com/en/chemical/12972729
Identifiers & Physical Properties
| Molecular formula | C18H16F3N3O3S |
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| Average molar mass | 411.4 g/mol |
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| SMILES | COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1C |
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| InChIKey | ZWJUOYUYIQDUSS-UHFFFAOYSA-N |
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| PubChem CID | 12972729 |
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| ChEMBL | CHEMBL176387 |
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Chemical & Physical Properties
| XLogP | 3.3 |
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| Topological polar surface area | 82.5 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 28 |
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| Formal charge | 0 |
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| Complexity | 640 |
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![5-Methanesulfonyl-2-[5-(4-methoxy-3-methyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-pyridine molecular structure](/img/chemical/12972729.png)