5-amino-3-[1-cyano-2-(3,5-diiodo-2-propoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-[1-cyano-2-(3,5-diiodo-2-propoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-[1-cyano-2-(3,5-diiodo-2-propoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 3601-0925 |
| Compound Name: | 5-amino-3-[1-cyano-2-(3,5-diiodo-2-propoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 589.17 |
| Molecular Formula: | C18 H17 I2 N5 O2 |
| Smiles: | CCCOc1c(/C=C(C#N)/c2c(C#N)c(N)n(CCO)n2)cc(cc1I)I |
| Stereo: | ACHIRAL |
| logP: | 3.7496 |
| logD: | 3.7496 |
| logSw: | -4.2972 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.302 |
| InChI Key: | FPFFSBKBQPCZAZ-UHFFFAOYSA-N |