{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}(3,5-dimethyl-1H-pyrazol-1-yl)methanone
Chemical Structure Depiction of
{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}(3,5-dimethyl-1H-pyrazol-1-yl)methanone
{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}(3,5-dimethyl-1H-pyrazol-1-yl)methanone
Compound characteristics
| Compound ID: | Y500-2612 |
| Compound Name: | {3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}(3,5-dimethyl-1H-pyrazol-1-yl)methanone |
| Molecular Weight: | 404.22 |
| Molecular Formula: | C16 H14 Br N5 O3 |
| Smiles: | Cc1cc(C)n(C(c2cccc(Cn3cc(c(n3)[N+]([O-])=O)[Br])c2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.7649 |
| logD: | 1.7649 |
| logSw: | -1.9917 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.902 |
| InChI Key: | YGNUOZSQXCMXCK-UHFFFAOYSA-N |