1-[(4-methyl-1H-pyrazol-1-yl)methyl]-4-nitro-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-[(4-methyl-1H-pyrazol-1-yl)methyl]-4-nitro-1H-pyrazole-3-carboxylic acid
1-[(4-methyl-1H-pyrazol-1-yl)methyl]-4-nitro-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y507-0944 |
| Compound Name: | 1-[(4-methyl-1H-pyrazol-1-yl)methyl]-4-nitro-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 251.2 |
| Molecular Formula: | C9 H9 N5 O4 |
| Smiles: | Cc1cnn(Cn2cc(c(C(O)=O)n2)[N+]([O-])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | -0.0821 |
| logD: | -5.4459 |
| logSw: | -0.6301 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.979 |
| InChI Key: | PZHNQGYGTZFKBV-UHFFFAOYSA-N |