3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6289 |
| Compound Name: | 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 372.38 |
| Molecular Formula: | C18 H20 N4 O5 |
| Smiles: | Cn1cc(C(O)=O)c(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.6307 |
| logD: | -2.944 |
| logSw: | -1.9837 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.306 |
| InChI Key: | QGOSAPHICASVJR-UHFFFAOYSA-N |