TL;DR: 3-(4-ethoxy-3-methoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide (CAS 1299384-67-0) is a chemical compound with molecular formula C20H19N5O5 and molecular weight 409.1386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-ethoxy-3-methoxyphenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: 3-(4-ethoxy-3-methoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide, (E)-3-(4-ethoxy-3-methoxyphenyl)-N'-(4-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide, 3-(4-ethoxy-3-methoxyphenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
| Molecular Formula | C20H19N5O5 |
| Molecular Weight | 409.1386 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.1386 Da |
| Heavy Atoms | 30 |
| Complexity | 605.0 |
| SMILES | CCOC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-])OC |
| InChIKey | NYGKPKKSPAELHW-CIAFOILYSA-N |
The XLogP value of 3.3 indicates that 3-(4-ethoxy-3-methoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-ethoxy-3-methoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-(4-ethoxy-3-methoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-ethoxy-3-methoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide is 1299384-67-0.
The molecular formula of 3-(4-ethoxy-3-methoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide is C20H19N5O5.
The molecular weight of 3-(4-ethoxy-3-methoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide is 409.1386 g/mol.
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