1-(1,5-dimethyl-1H-pyrazol-4-yl)-3-{4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-en-1-one
Chemical Structure Depiction of
1-(1,5-dimethyl-1H-pyrazol-4-yl)-3-{4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-en-1-one
1-(1,5-dimethyl-1H-pyrazol-4-yl)-3-{4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-en-1-one
Compound characteristics
| Compound ID: | Y502-5530 |
| Compound Name: | 1-(1,5-dimethyl-1H-pyrazol-4-yl)-3-{4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-en-1-one |
| Molecular Weight: | 381.39 |
| Molecular Formula: | C19 H19 N5 O4 |
| Smiles: | Cc1c(cnn1C)C(/C=C/c1ccc(c(Cn2ccc(n2)[N+]([O-])=O)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0063 |
| logD: | 2.0063 |
| logSw: | -2.7225 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.564 |
| InChI Key: | QIRLVIGJWDIHOB-UHFFFAOYSA-N |