5-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}-1H-pyrazole-4-carbonitrile
5-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8018-6327 |
| Compound Name: | 5-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 244.25 |
| Molecular Formula: | C12 H12 N4 O2 |
| Smiles: | COc1cccc(CNc2c(C#N)cn[nH]2)c1O |
| Stereo: | ACHIRAL |
| logP: | 1.2769 |
| logD: | 1.2763 |
| logSw: | -1.9865 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.97 |
| InChI Key: | GMYJMPWPIZUPMN-UHFFFAOYSA-N |