N-(5-bromopyridin-2-yl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(5-bromopyridin-2-yl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
N-(5-bromopyridin-2-yl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-3932 |
| Compound Name: | N-(5-bromopyridin-2-yl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 418.2 |
| Molecular Formula: | C16 H12 Br N5 O4 |
| Smiles: | C(n1ccc(C(Nc2ccc(cn2)[Br])=O)n1)Oc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4941 |
| logD: | 3.4445 |
| logSw: | -3.5605 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.565 |
| InChI Key: | BEJZJLJEGFBJJW-UHFFFAOYSA-N |