TL;DR: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide (CAS 88828-47-1) is a chemical compound with molecular formula C20H19N3O2 and molecular weight 333.14774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide
Also Known As: N-Antipyrinylcinnamamide, ChemDiv1_025088, N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide, (2E)-N-(1,5-DIMETHYL-3-OXO-2-PHENYLPYRAZOL-4-YL)-3-PHENYLPROP-2-ENAMIDE
| Molecular Formula | C20H19N3O2 |
| Molecular Weight | 333.14774 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.14774 Da |
| Heavy Atoms | 25 |
| Complexity | 569.0 |
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C=CC3=CC=CC=C3 |
| InChIKey | YRMVEYWFVDONFK-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide. With a topological polar surface area (TPSA) of 52.7 Ų, N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide is 88828-47-1.
The molecular formula of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide is C20H19N3O2.
The molecular weight of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide is 333.14774 g/mol.
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