| Pubchem ID | 17397102 |
|---|---|
| CAS | 8007-70-3 |
| IUPAC name | N-(3-acetylphenyl)-1-phenylpyrazole-4-carboxamide |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=O)C2=CN(N=C2)C3=CC=CC=C3 |
| InCheykey | InChI=1S/C18H15N3O2/c1-13(22)14-6-5-7-16(10-14)20-18(23)15-11-19-21(12-15)17-8-3-2-4-9-17/h2-12H,1H3,(H,20,23) |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 305.337 | 1 | 3 | 4 | 64.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Binder | Medium | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |