5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1H-pyrazole-4-carbonitrile
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8017-3625 |
| Compound Name: | 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 242.23 |
| Molecular Formula: | C12 H10 N4 O2 |
| Smiles: | C(c1ccc2c(c1)OCO2)Nc1c(C#N)cn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.1717 |
| logD: | 1.1716 |
| logSw: | -2.235 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.976 |
| InChI Key: | QWZFMWVHODUYLO-UHFFFAOYSA-N |