Pubchem ID | 135300387 |
---|---|
CAS | 9061-82-9 |
IUPAC name | [5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-methylpiperidin-1-yl)methanone |
Synonyms | - |
Categories | Flavor enhancer |
SMILES | CC1CCCN(C1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)OC)C(F)(F)F |
InCheykey | InChI=1S/C21H21F3N4O2/c1-13-4-3-9-27(12-13)20(29)17-11-19-25-16(14-5-7-15(30-2)8-6-14)10-18(21(22,23)24)28(19)26-17/h5-8,10-11,13H,3-4,9,12H2,1-2H3 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
418.42 | 0 | 7 | 3 | 59.7 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Very Low Solubility | Binder | High | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Non-Degradable |