2-(4-bromo-1H-pyrazol-1-yl)-N-[(oxolan-2-yl)methyl]butanamide
Chemical Structure Depiction of
2-(4-bromo-1H-pyrazol-1-yl)-N-[(oxolan-2-yl)methyl]butanamide
2-(4-bromo-1H-pyrazol-1-yl)-N-[(oxolan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | Y509-4760 |
| Compound Name: | 2-(4-bromo-1H-pyrazol-1-yl)-N-[(oxolan-2-yl)methyl]butanamide |
| Molecular Weight: | 316.2 |
| Molecular Formula: | C12 H18 Br N3 O2 |
| Smiles: | CCC(C(NCC1CCCO1)=O)n1cc(cn1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.463 |
| logD: | 1.463 |
| logSw: | -1.5999 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.472 |
| InChI Key: | ZQCQIBXEJWXWHT-UHFFFAOYSA-N |