5-methyl-N'-[(4-nitrobenzoyl)oxy]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide
Chemical Structure Depiction of
5-methyl-N'-[(4-nitrobenzoyl)oxy]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide
5-methyl-N'-[(4-nitrobenzoyl)oxy]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide
Compound characteristics
| Compound ID: | Y504-5034 |
| Compound Name: | 5-methyl-N'-[(4-nitrobenzoyl)oxy]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide |
| Molecular Weight: | 408.29 |
| Molecular Formula: | C16 H11 F3 N6 O4 |
| Smiles: | Cc1cc(C(F)(F)F)n2c(c(cn2)\C(N)=N/OC(c2ccc(cc2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.3351 |
| logD: | 2.3349 |
| logSw: | -2.7604 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.498 |
| InChI Key: | NSIBRVJOQUOGMM-UHFFFAOYSA-N |