5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-1H-tetrazole
Chemical Structure Depiction of
5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-1H-tetrazole
5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-1H-tetrazole
Compound characteristics
| Compound ID: | 8010-5763 |
| Compound Name: | 5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-1H-tetrazole |
| Molecular Weight: | 285.26 |
| Molecular Formula: | C12 H11 N7 O2 |
| Smiles: | Cc1cc(C)n(c2cc(ccc2c2nnn[nH]2)[N+]([O-])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.3606 |
| logD: | -1.6693 |
| logSw: | -2.3888 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.303 |
| InChI Key: | KYCOMSAAUPTACB-UHFFFAOYSA-N |