TL;DR: (Z)-2-(morpholine-4-carbonyl)-3-(1-phenyl-3-(4-(propylthio)phenyl)-1H-pyrazol-4-yl)acrylonitrile (CAS 1164497-15-7) is a chemical compound with molecular formula C26H26N4O2S and molecular weight 458.17764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-2-(morpholine-4-carbonyl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enenitrile
Also Known As: (Z)-2-(morpholine-4-carbonyl)-3-(1-phenyl-3-(4-(propylthio)phenyl)-1H-pyrazol-4-yl)acrylonitrile, (Z)-2-(Morpholine-4-carbonyl)-3-[1-phenyl-3-(4-propylsulfanyl-phenyl)-1H-pyrazol-4-yl]-acrylonitrile, (Z)-2-(morpholine-4-carbonyl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enenitrile, (2Z)-2-(morpholin-4-ylcarbonyl)-3-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile, (Z)-2-(morpholine-4-carbonyl)-3-[1-phenyl-3-[4-(propylthio)phenyl]pyrazol-4-yl]acrylonitrile
| Molecular Formula | C26H26N4O2S |
| Molecular Weight | 458.17764 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 96.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.17764 Da |
| Heavy Atoms | 33 |
| Complexity | 715.0 |
| SMILES | CCCSC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)N3CCOCC3)C4=CC=CC=C4 |
| InChIKey | GGETULYJKSLRDT-FXBPSFAMSA-N |
The XLogP value of 4.4 indicates that (Z)-2-(morpholine-4-carbonyl)-3-(1-phenyl-3-(4-(propylthio)phenyl)-1H-pyrazol-4-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(morpholine-4-carbonyl)-3-(1-phenyl-3-(4-(propylthio)phenyl)-1H-pyrazol-4-yl)acrylonitrile. Following Lipinski's Rule of Five, (Z)-2-(morpholine-4-carbonyl)-3-(1-phenyl-3-(4-(propylthio)phenyl)-1H-pyrazol-4-yl)acrylonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-2-(morpholine-4-carbonyl)-3-(1-phenyl-3-(4-(propylthio)phenyl)-1H-pyrazol-4-yl)acrylonitrile is 1164497-15-7.
The molecular formula of (Z)-2-(morpholine-4-carbonyl)-3-(1-phenyl-3-(4-(propylthio)phenyl)-1H-pyrazol-4-yl)acrylonitrile is C26H26N4O2S.
The molecular weight of (Z)-2-(morpholine-4-carbonyl)-3-(1-phenyl-3-(4-(propylthio)phenyl)-1H-pyrazol-4-yl)acrylonitrile is 458.17764 g/mol.
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