TL;DR: (2E)-2-cyano-3-(3-{3-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)-N-methylprop-2-enamide (CAS 1009190-98-0) is a chemical compound with molecular formula C26H27N5O4S and molecular weight 505.17838 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-3-[3-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-1-phenylpyrazol-4-yl]-N-methylprop-2-enamide
Also Known As: (2E)-2-cyano-3-(3-{3-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)-N-methylprop-2-enamide, (E)-2-cyano-3-(3-(3-((2,6-dimethylmorpholino)sulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)-N-methylacrylamide, (E)-2-cyano-3-[3-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-1-phenylpyrazol-4-yl]-N-methylprop-2-enamide
| Molecular Formula | C26H27N5O4S |
| Molecular Weight | 505.17838 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.17838 Da |
| Heavy Atoms | 36 |
| Complexity | 955.0 |
| SMILES | CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3/C=C(\C#N)/C(=O)NC)C4=CC=CC=C4 |
| InChIKey | AODDGBHKVHDXKG-CIAFOILYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-cyano-3-(3-{3-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)-N-methylprop-2-enamide. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-cyano-3-(3-{3-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)-N-methylprop-2-enamide. Following Lipinski's Rule of Five, (2E)-2-cyano-3-(3-{3-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)-N-methylprop-2-enamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (2E)-2-cyano-3-(3-{3-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)-N-methylprop-2-enamide is 1009190-98-0.
The molecular formula of (2E)-2-cyano-3-(3-{3-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)-N-methylprop-2-enamide is C26H27N5O4S.
The molecular weight of (2E)-2-cyano-3-(3-{3-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)-N-methylprop-2-enamide is 505.17838 g/mol.
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