TL;DR: 3-[2-(naphthalen-1-ylmethoxy)phenyl]-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide (CAS 1310355-31-7) is a chemical compound with molecular formula C28H21N5O4 and molecular weight 491.15936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: 3-[2-(naphthalen-1-ylmethoxy)phenyl]-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide, (E)-3-(2-(naphthalen-1-ylmethoxy)phenyl)-N'-(4-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide, 3-[2-(1-naphthylmethoxy)phenyl]-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide, 3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide, 5-[2-(naphthalen-1-ylmethoxy)phenyl]-N-[(4-nitrophenyl)methylideneamino]-2H-pyrazole-3-carboxamide
| Molecular Formula | C28H21N5O4 |
| Molecular Weight | 491.15936 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.15936 Da |
| Heavy Atoms | 37 |
| Complexity | 796.0 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2COC3=CC=CC=C3C4=NNC(=C4)C(=O)N/N=C/C5=CC=C(C=C5)[N+](=O)[O-] |
| InChIKey | DCHHCUGJVRDHQL-STBIYBPSSA-N |
The XLogP value of 5.7 indicates that 3-[2-(naphthalen-1-ylmethoxy)phenyl]-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 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(naphthalen-1-ylmethoxy)phenyl]-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-[2-(naphthalen-1-ylmethoxy)phenyl]-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-[2-(naphthalen-1-ylmethoxy)phenyl]-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide is 1310355-31-7.
The molecular formula of 3-[2-(naphthalen-1-ylmethoxy)phenyl]-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide is C28H21N5O4.
The molecular weight of 3-[2-(naphthalen-1-ylmethoxy)phenyl]-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide is 491.15936 g/mol.
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