3-nitro-1-propyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-nitro-1-propyl-1H-pyrazole-4-carboxylic acid
3-nitro-1-propyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1042 |
| Compound Name: | 3-nitro-1-propyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 199.16 |
| Molecular Formula: | C7 H9 N3 O4 |
| Smiles: | CCCn1cc(C(O)=O)c(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.8833 |
| logD: | -3.9608 |
| logSw: | -1.4137 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.493 |
| InChI Key: | DSFIYUVXUWAOJH-UHFFFAOYSA-N |