N-[4-(methylsulfanyl)phenyl]-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[4-(methylsulfanyl)phenyl]-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
N-[4-(methylsulfanyl)phenyl]-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | S451-0392 |
| Compound Name: | N-[4-(methylsulfanyl)phenyl]-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 298.36 |
| Molecular Formula: | C15 H14 N4 O S |
| Smiles: | CSc1ccc(cc1)NC(c1cc(c2ccc[nH]2)n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5691 |
| logD: | 3.569 |
| logSw: | -3.8675 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 55.886 |
| InChI Key: | MJEDBSKWPWRUPM-UHFFFAOYSA-N |