methyl 5-amino-1-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-amino-1-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-1H-pyrazole-4-carboxylate
methyl 5-amino-1-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | G892-0981 |
| Compound Name: | methyl 5-amino-1-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 463.49 |
| Molecular Formula: | C24 H25 N5 O5 |
| Smiles: | COC(c1cnn(c2ccc(cc2)C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c1N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8732 |
| logD: | 1.6817 |
| logSw: | -2.6284 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.033 |
| InChI Key: | CIMRVOSWFXRJAX-UHFFFAOYSA-N |