N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
Compound ID: | Y500-6308 |
Compound Name: | N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide |
Molecular Weight: | 276.25 |
Molecular Formula: | C12 H12 N4 O4 |
Smiles: | COc1c(c(C(NCc2ccccc2)=O)[nH]n1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 1.8137 |
logD: | 1.4681 |
logSw: | -2.0295 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 89.265 |
InChI Key: | XZJYYTUHGOTCEN-UHFFFAOYSA-N |