5-amino-3-[2-(3-bromo-4-methoxyphenyl)-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-[2-(3-bromo-4-methoxyphenyl)-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
5-amino-3-[2-(3-bromo-4-methoxyphenyl)-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8010-2630 |
| Compound Name: | 5-amino-3-[2-(3-bromo-4-methoxyphenyl)-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 344.17 |
| Molecular Formula: | C14 H10 Br N5 O |
| Smiles: | COc1ccc(/C=C(C#N)/c2c(C#N)c(N)[nH]n2)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.1016 |
| logD: | 2.0982 |
| logSw: | -2.7374 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.938 |
| InChI Key: | SBFVJYGJTGSBRU-UHFFFAOYSA-N |