3-{[1-(2H-1,3-benzodioxol-5-yl)ethyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-{[1-(2H-1,3-benzodioxol-5-yl)ethyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
3-{[1-(2H-1,3-benzodioxol-5-yl)ethyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6281 |
| Compound Name: | 3-{[1-(2H-1,3-benzodioxol-5-yl)ethyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 317.3 |
| Molecular Formula: | C15 H15 N3 O5 |
| Smiles: | CC(c1ccc2c(c1)OCO2)NC(c1c(cn(C)n1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.234 |
| logD: | -2.5417 |
| logSw: | -2.175 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.694 |
| InChI Key: | MSBXNNUXNAMLMN-QMMMGPOBSA-N |