4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
Chemical Structure Depiction of
4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y504-8661 |
| Compound Name: | 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid |
| Molecular Weight: | 280.24 |
| Molecular Formula: | C11 H12 N4 O5 |
| Smiles: | Cc1c(c(C)n(Cc2c(C(O)=O)noc2C)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.2178 |
| logD: | -3.3409 |
| logSw: | -0.3658 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.94 |
| InChI Key: | VJGBACPZKYXDKB-UHFFFAOYSA-N |