N-(2-bromo-4-methylphenyl)-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
N-(2-bromo-4-methylphenyl)-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-1995 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 353.17 |
| Molecular Formula: | C13 H13 Br N4 O3 |
| Smiles: | Cc1ccc(c(c1)[Br])NC(c1c(c(C)n(C)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6683 |
| logD: | 2.6448 |
| logSw: | -3.0804 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.444 |
| InChI Key: | LRZDLHSLVBFKDW-UHFFFAOYSA-N |