methyl 2-{[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate
methyl 2-{[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E751-3189 |
| Compound Name: | methyl 2-{[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate |
| Molecular Weight: | 400.44 |
| Molecular Formula: | C23 H20 N4 O3 |
| Smiles: | Cc1ccc(cc1)n1c(c(cn1)C(Nc1ccccc1C(=O)OC)=O)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9564 |
| logD: | 4.9504 |
| logSw: | -4.4444 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.662 |
| InChI Key: | JCRQXDBNJUXZLD-UHFFFAOYSA-N |