HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 68752913Generated: October 27, 2026
3,3-dimethyl-N-(3-{(E)-2-[4-(trifluoromethyl)phenyl]vinyl}pyrazolo[1,5-a]pyrimidin-2-yl)butanamide
https://huagongshe.com/en/chemical/68752913
Identifiers & Physical Properties
| Molecular formula | C21H21F3N4O |
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| Average molar mass | 402.4 g/mol |
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| Monoisotopic mass | 402.16674579 g/mol |
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| SMILES | CC(C)(C)CC(=O)Nc1nn2cccnc2c1/C=C/c1ccc(C(F)(F)F)cc1 |
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| InChIKey | ZZAJBONALOYCBT-JXMROGBWSA-N |
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| PubChem CID | 68752913 |
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Chemical & Physical Properties
| XLogP | 4.6 |
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| Topological polar surface area | 59.3 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 29 |
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| Formal charge | 0 |
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| Complexity | 594 |
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![3,3-dimethyl-N-(3-{(E)-2-[4-(trifluoromethyl)phenyl]vinyl}pyrazolo[1,5-a]pyrimidin-2-yl)butanamide molecular structure](/img/chemical/68752913.png)