4-[4-(3,3-dimethylbutanamido)phenyl]-3-ethyl-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
4-[4-(3,3-dimethylbutanamido)phenyl]-3-ethyl-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate
4-[4-(3,3-dimethylbutanamido)phenyl]-3-ethyl-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate
Compound characteristics
| Compound ID: | V016-8983 |
| Compound Name: | 4-[4-(3,3-dimethylbutanamido)phenyl]-3-ethyl-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C26 H31 N3 O3 |
| Smiles: | CCc1c(c2ccc(cc2)NC(CC(C)(C)C)=O)c(n(c2ccc(C)cc2)n1)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7966 |
| logD: | 5.7966 |
| logSw: | -5.6411 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.49 |
| InChI Key: | VHLTUSBMBDSVDE-UHFFFAOYSA-N |