methyl 5-(2-formyl-1H-pyrrol-1-yl)-1-phenyl-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-(2-formyl-1H-pyrrol-1-yl)-1-phenyl-1H-pyrazole-4-carboxylate
methyl 5-(2-formyl-1H-pyrrol-1-yl)-1-phenyl-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | K780-1032 |
| Compound Name: | methyl 5-(2-formyl-1H-pyrrol-1-yl)-1-phenyl-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 295.3 |
| Molecular Formula: | C16 H13 N3 O3 |
| Smiles: | COC(c1cnn(c2ccccc2)c1n1cccc1C=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9574 |
| logD: | 2.9574 |
| logSw: | -3.1376 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.972 |
| InChI Key: | YATPYLLWQHHCIQ-UHFFFAOYSA-N |