1-methyl-4-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-1H-pyrazole-5-carboxylic acid
Chemical Structure Depiction of
1-methyl-4-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-1H-pyrazole-5-carboxylic acid
1-methyl-4-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-1H-pyrazole-5-carboxylic acid
Compound characteristics
| Compound ID: | Y501-7367 |
| Compound Name: | 1-methyl-4-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-1H-pyrazole-5-carboxylic acid |
| Molecular Weight: | 336.3 |
| Molecular Formula: | C13 H16 N6 O5 |
| Smiles: | CCC(C(Nc1cnn(C)c1C(O)=O)=O)n1c(C)cc(n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.3214 |
| logD: | -5.4673 |
| logSw: | -1.6269 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.274 |
| InChI Key: | XIPVXTAMBUHEQP-VIFPVBQESA-N |