ethyl 3-{[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate
ethyl 3-{[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E751-3849 |
| Compound Name: | ethyl 3-{[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C25 H24 N4 O3 |
| Smiles: | CCOC(c1cccc(c1)NC(c1c(C)nn(c2ccc(C)cc2)c1n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4749 |
| logD: | 5.4749 |
| logSw: | -5.3935 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.293 |
| InChI Key: | PKSBLXCKXPUDEQ-UHFFFAOYSA-N |