TL;DR: (2E)-2-cyano-3-{3-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-[3-(1H-imidazol-1-yl)propyl]prop-2-enamide (CAS 1009191-23-4) is a chemical compound with molecular formula C27H27N7O3S and molecular weight 529.18964 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-3-[3-[3-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]-N-(3-imidazol-1-ylpropyl)prop-2-enamide
Also Known As: (2E)-2-cyano-3-{3-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-[3-(1H-imidazol-1-yl)propyl]prop-2-enamide, (E)-2-cyano-3-[3-[3-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]-N-(3-imidazol-1-ylpropyl)prop-2-enamide, (E)-N-(3-(1H-imidazol-1-yl)propyl)-2-cyano-3-(3-(3-(N,N-dimethylsulfamoyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylamide
| Molecular Formula | C27H27N7O3S |
| Molecular Weight | 529.18964 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 529.18964 Da |
| Heavy Atoms | 38 |
| Complexity | 980.0 |
| SMILES | CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4 |
| InChIKey | YUWXXQNCCFMQDR-CJLVFECKSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-cyano-3-{3-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-[3-(1H-imidazol-1-yl)propyl]prop-2-enamide. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-cyano-3-{3-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-[3-(1H-imidazol-1-yl)propyl]prop-2-enamide. Following Lipinski's Rule of Five, (2E)-2-cyano-3-{3-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-[3-(1H-imidazol-1-yl)propyl]prop-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-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-[3-(1H-imidazol-1-yl)propyl]prop-2-enamide is 1009191-23-4.
The molecular formula of (2E)-2-cyano-3-{3-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-[3-(1H-imidazol-1-yl)propyl]prop-2-enamide is C27H27N7O3S.
The molecular weight of (2E)-2-cyano-3-{3-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-[3-(1H-imidazol-1-yl)propyl]prop-2-enamide is 529.18964 g/mol.
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