N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3-nitrobenzamide
N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y205-3900 |
| Compound Name: | N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3-nitrobenzamide |
| Molecular Weight: | 368.37 |
| Molecular Formula: | C19 H17 F N4 O3 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)F)n1)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4855 |
| logD: | 2.4552 |
| logSw: | -2.9221 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.597 |
| InChI Key: | NBJHLTUCYIQJQD-UHFFFAOYSA-N |