N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-4652 |
| Compound Name: | N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-4-iodo-1-methyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 435.27 |
| Molecular Formula: | C17 H18 I N5 O |
| Smiles: | Cc1cc(C)n(Cc2ccc(cc2)NC(c2c(cn(C)n2)I)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.0831 |
| logD: | 2.0829 |
| logSw: | -2.9076 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.421 |
| InChI Key: | PPHXBXAEULCMAR-UHFFFAOYSA-N |