rel-(5R,7S)-N-[(4-chlorophenyl)methyl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-[(4-chlorophenyl)methyl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
rel-(5R,7S)-N-[(4-chlorophenyl)methyl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
Compound ID: | 7213-0113 |
Compound Name: | rel-(5R,7S)-N-[(4-chlorophenyl)methyl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
Molecular Weight: | 464.87 |
Molecular Formula: | C22 H20 Cl F3 N4 O2 |
Smiles: | COc1cccc(c1)[C@H]1C[C@@H](C(F)(F)F)n2c(c(cn2)C(NCc2ccc(cc2)[Cl])=O)N1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 4.8582 |
logD: | 4.8582 |
logSw: | -4.9646 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 57.471 |
InChI Key: | YBBATBPFIQZWDV-RTBURBONSA-N |