1-(1,3-dimethyl-1H-pyrazol-4-yl)-3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-en-1-one
Chemical Structure Depiction of
1-(1,3-dimethyl-1H-pyrazol-4-yl)-3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-en-1-one
1-(1,3-dimethyl-1H-pyrazol-4-yl)-3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-en-1-one
Compound characteristics
| Compound ID: | Y502-4984 |
| Compound Name: | 1-(1,3-dimethyl-1H-pyrazol-4-yl)-3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-en-1-one |
| Molecular Weight: | 381.39 |
| Molecular Formula: | C19 H19 N5 O4 |
| Smiles: | Cc1c(cn(C)n1)C(/C=C/c1ccc(c(Cn2cc(cn2)[N+]([O-])=O)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9965 |
| logD: | 1.9965 |
| logSw: | -2.7722 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.893 |
| InChI Key: | BYFQXGQUFHKSMY-UHFFFAOYSA-N |