5-amino-3-[2-(2H-1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-[2-(2H-1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
5-amino-3-[2-(2H-1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2237-1660 |
| Compound Name: | 5-amino-3-[2-(2H-1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 279.26 |
| Molecular Formula: | C14 H9 N5 O2 |
| Smiles: | C1Oc2ccc(/C=C(C#N)/c3c(C#N)c(N)[nH]n3)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 1.6434 |
| logD: | 1.64 |
| logSw: | -2.0383 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.423 |
| InChI Key: | ZEYLBMZRBYXANQ-UHFFFAOYSA-N |