4-bromo-N-(5-tert-butyl-2-methoxyphenyl)-5-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-bromo-N-(5-tert-butyl-2-methoxyphenyl)-5-nitro-1H-pyrazole-3-carboxamide
4-bromo-N-(5-tert-butyl-2-methoxyphenyl)-5-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-1707 |
| Compound Name: | 4-bromo-N-(5-tert-butyl-2-methoxyphenyl)-5-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 397.23 |
| Molecular Formula: | C15 H17 Br N4 O4 |
| Smiles: | CC(C)(C)c1ccc(c(c1)NC(c1c(c([nH]n1)[N+]([O-])=O)[Br])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9949 |
| logD: | 3.9363 |
| logSw: | -4.3344 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.108 |
| InChI Key: | CJZDXYQAPUSOFR-UHFFFAOYSA-N |