5-amino-3-[2-(6-chloro-2H-1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-[2-(6-chloro-2H-1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-[2-(6-chloro-2H-1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8008-3691 |
| Compound Name: | 5-amino-3-[2-(6-chloro-2H-1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 357.75 |
| Molecular Formula: | C16 H12 Cl N5 O3 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cc3c(cc2[Cl])OCO3)C#N)nn1CCO[H] |
| Stereo: | ACHIRAL |
| logP: | 1.2871 |
| logD: | 1.2871 |
| logSw: | -2.4975 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.827 |
| InChI Key: | VBWVEUWEXZCCDU-UHFFFAOYSA-N |