1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole
Chemical Structure Depiction of
1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole
1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole
Compound characteristics
| Compound ID: | Y502-0507 |
| Compound Name: | 1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole |
| Molecular Weight: | 310.15 |
| Molecular Formula: | C12 H12 Br N3 O2 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)[Br])n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9119 |
| logD: | 2.9119 |
| logSw: | -3.1665 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.3 |
| InChI Key: | ITEJNJSDMOSDEU-UHFFFAOYSA-N |