TL;DR: (E)-3-(4-((4-methylbenzyl)oxy)phenyl)-N'-(1-(3-nitrophenyl)ethylidene)-1H-pyrazole-5-carbohydrazide (CAS 1359880-52-6) is a chemical compound with molecular formula C26H23N5O4 and molecular weight 469.17502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: (E)-3-(4-((4-methylbenzyl)oxy)phenyl)-N'-(1-(3-nitrophenyl)ethylidene)-1H-pyrazole-5-carbohydrazide, 3-[4-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide, 3-{4-[(4-METHYLBENZYL)OXY]PHENYL}-N'-[(E)-1-(3-NITROPHENYL)ETHYLIDENE]-1H-PYRAZOLE-5-CARBOHYDRAZIDE
| Molecular Formula | C26H23N5O4 |
| Molecular Weight | 469.17502 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.17502 Da |
| Heavy Atoms | 35 |
| Complexity | 741.0 |
| SMILES | CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C(\C)/C4=CC(=CC=C4)[N+](=O)[O-] |
| InChIKey | KFQHSFNGYNNAOH-OVVQPSECSA-N |
The XLogP value of 5.0 indicates that (E)-3-(4-((4-methylbenzyl)oxy)phenyl)-N'-(1-(3-nitrophenyl)ethylidene)-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 (E)-3-(4-((4-methylbenzyl)oxy)phenyl)-N'-(1-(3-nitrophenyl)ethylidene)-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, (E)-3-(4-((4-methylbenzyl)oxy)phenyl)-N'-(1-(3-nitrophenyl)ethylidene)-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-3-(4-((4-methylbenzyl)oxy)phenyl)-N'-(1-(3-nitrophenyl)ethylidene)-1H-pyrazole-5-carbohydrazide is 1359880-52-6.
The molecular formula of (E)-3-(4-((4-methylbenzyl)oxy)phenyl)-N'-(1-(3-nitrophenyl)ethylidene)-1H-pyrazole-5-carbohydrazide is C26H23N5O4.
The molecular weight of (E)-3-(4-((4-methylbenzyl)oxy)phenyl)-N'-(1-(3-nitrophenyl)ethylidene)-1H-pyrazole-5-carbohydrazide is 469.17502 g/mol.
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