1-butyl-4-nitro-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-butyl-4-nitro-1H-pyrazole-3-carboxylic acid
1-butyl-4-nitro-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1379 |
| Compound Name: | 1-butyl-4-nitro-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 213.19 |
| Molecular Formula: | C8 H11 N3 O4 |
| Smiles: | CCCCn1cc(c(C(O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.7673 |
| logD: | -4.1323 |
| logSw: | -0.9402 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.029 |
| InChI Key: | HAXSIADDULFJRT-UHFFFAOYSA-N |