1-benzyl-3-nitro-1H-pyrazole-5-carboxylic acid
Chemical Structure Depiction of
1-benzyl-3-nitro-1H-pyrazole-5-carboxylic acid
1-benzyl-3-nitro-1H-pyrazole-5-carboxylic acid
Compound characteristics
| Compound ID: | 8010-7671 |
| Compound Name: | 1-benzyl-3-nitro-1H-pyrazole-5-carboxylic acid |
| Molecular Weight: | 247.21 |
| Molecular Formula: | C11 H9 N3 O4 |
| Smiles: | C(c1ccccc1)n1c(cc(n1)[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1068 |
| logD: | -3.6041 |
| logSw: | -1.8992 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.45 |
| InChI Key: | GOCFKHJXPFKGHX-UHFFFAOYSA-N |