N-(2,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
N-(2,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | S451-0319 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 312.33 |
| Molecular Formula: | C16 H16 N4 O3 |
| Smiles: | COc1ccc(c(c1)OC)NC(c1cc(c2ccc[nH]2)n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7932 |
| logD: | 2.7928 |
| logSw: | -3.4683 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.362 |
| InChI Key: | ROROYRDPNMKFEB-UHFFFAOYSA-N |