5-amino-3-[1-cyano-2-(7-methoxy-2H-1,3-benzodioxol-5-yl)ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-[1-cyano-2-(7-methoxy-2H-1,3-benzodioxol-5-yl)ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-[1-cyano-2-(7-methoxy-2H-1,3-benzodioxol-5-yl)ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8007-8022 |
| Compound Name: | 5-amino-3-[1-cyano-2-(7-methoxy-2H-1,3-benzodioxol-5-yl)ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 353.34 |
| Molecular Formula: | C17 H15 N5 O4 |
| Smiles: | COc1cc(/C=C(C#N)/c2c(C#N)c(N)n(CCO)n2)cc2c1OCO2 |
| Stereo: | ACHIRAL |
| logP: | 0.8917 |
| logD: | 0.8917 |
| logSw: | -1.3096 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.142 |
| InChI Key: | VLTPRRXZDGTBHM-UHFFFAOYSA-N |