(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetic acid
Chemical Structure Depiction of
(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetic acid
(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetic acid
Compound characteristics
| Compound ID: | R052-0382 |
| Compound Name: | (3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetic acid |
| Molecular Weight: | 199.16 |
| Molecular Formula: | C7 H9 N3 O4 |
| Smiles: | Cc1c(c(C)n(CC(O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -1.1305 |
| logD: | -5.2037 |
| logSw: | -0.2642 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.955 |
| InChI Key: | BFNTYPOJGJVSTK-UHFFFAOYSA-N |