1-[(3-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
1-[(3-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazole-4-carboxylic acid
1-[(3-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y507-0630 |
| Compound Name: | 1-[(3-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 237.17 |
| Molecular Formula: | C8 H7 N5 O4 |
| Smiles: | C(n1cc(cn1)C(O)=O)n1ccc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.0211 |
| logD: | -3.6212 |
| logSw: | -1.058 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.079 |
| InChI Key: | GMTSGGZAVSKGHD-UHFFFAOYSA-N |