methyl N-[1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-beta-alaninate
Chemical Structure Depiction of
methyl N-[1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-beta-alaninate
methyl N-[1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | IB06-4753 |
| Compound Name: | methyl N-[1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-beta-alaninate |
| Molecular Weight: | 276.29 |
| Molecular Formula: | C13 H16 N4 O3 |
| Smiles: | Cn1c(c(cn1)C(NCCC(=O)OC)=O)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 0.89 |
| logD: | 0.89 |
| logSw: | -1.62 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.47 |
| InChI Key: | XHXWETLSZFSCAU-UHFFFAOYSA-N |