5-amino-3-{2-[4-(benzyloxy)-3-methoxyphenyl]-1-cyanoethenyl}-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{2-[4-(benzyloxy)-3-methoxyphenyl]-1-cyanoethenyl}-1H-pyrazole-4-carbonitrile
5-amino-3-{2-[4-(benzyloxy)-3-methoxyphenyl]-1-cyanoethenyl}-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2237-1743 |
| Compound Name: | 5-amino-3-{2-[4-(benzyloxy)-3-methoxyphenyl]-1-cyanoethenyl}-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 371.4 |
| Molecular Formula: | C21 H17 N5 O2 |
| Smiles: | COc1cc(/C=C(C#N)/c2c(C#N)c(N)[nH]n2)ccc1OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8862 |
| logD: | 2.8827 |
| logSw: | -3.3139 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.252 |
| InChI Key: | KDVDSKCHXYKOLV-UHFFFAOYSA-N |