4-iodo-1-methyl-N-{1-[(pentafluorophenyl)methyl]-1H-pyrazol-3-yl}-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-iodo-1-methyl-N-{1-[(pentafluorophenyl)methyl]-1H-pyrazol-3-yl}-1H-pyrazole-3-carboxamide
4-iodo-1-methyl-N-{1-[(pentafluorophenyl)methyl]-1H-pyrazol-3-yl}-1H-pyrazole-3-carboxamide
Compound characteristics
Compound ID: | Y501-5271 |
Compound Name: | 4-iodo-1-methyl-N-{1-[(pentafluorophenyl)methyl]-1H-pyrazol-3-yl}-1H-pyrazole-3-carboxamide |
Molecular Weight: | 497.16 |
Molecular Formula: | C15 H9 F5 I N5 O |
Smiles: | Cn1cc(c(C(Nc2ccn(Cc3c(c(c(c(c3F)F)F)F)F)n2)=O)n1)I |
Stereo: | ACHIRAL |
logP: | 3.2474 |
logD: | 3.2135 |
logSw: | -3.3745 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.641 |
InChI Key: | WBGAMHTXAUBCSI-UHFFFAOYSA-N |