methyl 2-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate
methyl 2-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C883-0402 |
| Compound Name: | methyl 2-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate |
| Molecular Weight: | 400.44 |
| Molecular Formula: | C23 H20 N4 O3 |
| Smiles: | Cc1c(C(Nc2ccccc2C(=O)OC)=O)c(n2cccc2)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.0708 |
| logD: | 4.0504 |
| logSw: | -4.4559 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.015 |
| InChI Key: | PDYVTLPXDVNIMK-UHFFFAOYSA-N |