3-methyl-4-nitro-1H-pyrazole-5-carboxylic acid
Chemical Structure Depiction of
3-methyl-4-nitro-1H-pyrazole-5-carboxylic acid
3-methyl-4-nitro-1H-pyrazole-5-carboxylic acid
Compound characteristics
| Compound ID: | 0922-0128 |
| Compound Name: | 3-methyl-4-nitro-1H-pyrazole-5-carboxylic acid |
| Molecular Weight: | 171.11 |
| Molecular Formula: | C5 H5 N3 O4 |
| Smiles: | Cc1c(c(C(O)=O)[nH]n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.1054 |
| logD: | -5.2657 |
| logSw: | -0.5579 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.535 |
| InChI Key: | RFGSRUNVFVKCGD-UHFFFAOYSA-N |