N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylphenyl)-3-oxo-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
Chemical Structure Depiction of
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylphenyl)-3-oxo-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylphenyl)-3-oxo-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
Compound characteristics
| Compound ID: | SD50-0526 |
| Compound Name: | N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(4-methylphenyl)-3-oxo-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C24 H31 N5 O2 |
| Smiles: | CCn1c(C)c(CNC(C2CCC3=C(CC2)NN(C3=O)c2ccc(C)cc2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.515 |
| logD: | 2.0931 |
| logSw: | -2.6647 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.231 |
| InChI Key: | KIIUXSVMNUISCE-GOSISDBHSA-N |