1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole
Chemical Structure Depiction of
1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole
1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole
Compound characteristics
| Compound ID: | Y503-3181 |
| Compound Name: | 1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole |
| Molecular Weight: | 291.3 |
| Molecular Formula: | C14 H17 N3 O4 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(c(c2)OC)OC)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.651 |
| logD: | 1.651 |
| logSw: | -2.0627 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.561 |
| InChI Key: | ODQCPADSBRQTKN-UHFFFAOYSA-N |