N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-7109 |
| Compound Name: | N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 368.39 |
| Molecular Formula: | C18 H20 N6 O3 |
| Smiles: | CCn1cc(c(C(Nc2ccc(Cn3c(C)cc(C)n3)cc2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5725 |
| logD: | 1.5686 |
| logSw: | -2.3806 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.194 |
| InChI Key: | GODVUNFIBOEBJP-UHFFFAOYSA-N |