methyl 2-{[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate
methyl 2-{[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E751-3699 |
| Compound Name: | methyl 2-{[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C24 H22 N4 O3 |
| Smiles: | Cc1ccc(cc1)n1c(c(C(Nc2ccccc2C(=O)OC)=O)c(C)n1)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6157 |
| logD: | 4.5953 |
| logSw: | -4.6026 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.015 |
| InChI Key: | BJCYMEJPKZPVJD-UHFFFAOYSA-N |