methyl 4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]-5-methyl-1H-pyrazol-1-yl}butanoate
Chemical Structure Depiction of
methyl 4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]-5-methyl-1H-pyrazol-1-yl}butanoate
methyl 4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]-5-methyl-1H-pyrazol-1-yl}butanoate
Compound characteristics
| Compound ID: | 8018-0785 |
| Compound Name: | methyl 4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]-5-methyl-1H-pyrazol-1-yl}butanoate |
| Molecular Weight: | 345.35 |
| Molecular Formula: | C17 H19 N3 O5 |
| Smiles: | Cc1cc(NC(c2ccc3c(c2)OCO3)=O)nn1CCCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.6321 |
| logD: | 1.4896 |
| logSw: | -2.14 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.77 |
| InChI Key: | CYIOZIWBEXWPEU-UHFFFAOYSA-N |