N-{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-3-(1-ethyl-1H-pyrazol-4-yl)prop-2-enamide
Chemical Structure Depiction of
N-{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-3-(1-ethyl-1H-pyrazol-4-yl)prop-2-enamide
N-{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-3-(1-ethyl-1H-pyrazol-4-yl)prop-2-enamide
Compound characteristics
| Compound ID: | Y501-7837 |
| Compound Name: | N-{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-3-(1-ethyl-1H-pyrazol-4-yl)prop-2-enamide |
| Molecular Weight: | 428.33 |
| Molecular Formula: | C20 H22 Br N5 O |
| Smiles: | CCn1cc(/C=C/C(Nc2ccc(Cn3c(C)c(c(C)n3)[Br])cc2)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 2.7302 |
| logD: | 2.7299 |
| logSw: | -2.9087 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.9 |
| InChI Key: | ITAMYRNWMSSXMU-UHFFFAOYSA-N |