N-[3,5-bis(trifluoromethyl)phenyl]-4-bromo-1-methyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[3,5-bis(trifluoromethyl)phenyl]-4-bromo-1-methyl-1H-pyrazole-5-carboxamide
N-[3,5-bis(trifluoromethyl)phenyl]-4-bromo-1-methyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y501-1721 |
| Compound Name: | N-[3,5-bis(trifluoromethyl)phenyl]-4-bromo-1-methyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 416.12 |
| Molecular Formula: | C13 H8 Br F6 N3 O |
| Smiles: | Cn1c(C(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)=O)c(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3207 |
| logD: | 2.3069 |
| logSw: | -4.321 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.845 |
| InChI Key: | BOVTZMGVEJVVDP-UHFFFAOYSA-N |