TL;DR: (Z)-3-((3-(2-Nitrophenyl)-1H-pyrazol-4-yl)methylene)indolin-2-one (CAS 1427789-21-6) is a chemical compound with molecular formula C18H12N4O3 and molecular weight 332.09094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-3-[[5-(2-nitrophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one
Also Known As: J3.224.116F, (Z)-3-((3-(2-Nitrophenyl)-1H-pyrazol-4-yl)methylene)indolin-2-one, (3Z)-3-[[5-(2-nitrophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one, 3-[(Z)-[3-(2-Nitrophenyl)-1H-pyrazole-4-yl]methylene]indoline-2-one, (3Z)-3-{[3-(2-nitrophenyl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-1H-indol-2-one
| Molecular Formula | C18H12N4O3 |
| Molecular Weight | 332.09094 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.09094 Da |
| Heavy Atoms | 25 |
| Complexity | 573.0 |
| SMILES | C1=CC=C2C(=C1)/C(=C/C3=C(NN=C3)C4=CC=CC=C4[N+](=O)[O-])/C(=O)N2 |
| InChIKey | XLYVQVWMTOLDNL-ZROIWOOFSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-((3-(2-Nitrophenyl)-1H-pyrazol-4-yl)methylene)indolin-2-one. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-((3-(2-Nitrophenyl)-1H-pyrazol-4-yl)methylene)indolin-2-one. Following Lipinski's Rule of Five, (Z)-3-((3-(2-Nitrophenyl)-1H-pyrazol-4-yl)methylene)indolin-2-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-3-((3-(2-Nitrophenyl)-1H-pyrazol-4-yl)methylene)indolin-2-one is 1427789-21-6.
The molecular formula of (Z)-3-((3-(2-Nitrophenyl)-1H-pyrazol-4-yl)methylene)indolin-2-one is C18H12N4O3.
The molecular weight of (Z)-3-((3-(2-Nitrophenyl)-1H-pyrazol-4-yl)methylene)indolin-2-one is 332.09094 g/mol.
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