TL;DR: (E)-N'-(4-nitrobenzylidene)-3-(4-(pentyloxy)phenyl)-1H-pyrazole-5-carbohydrazide (CAS 1285576-14-8) is a chemical compound with molecular formula C22H23N5O4 and molecular weight 421.17502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-(4-nitrophenyl)methylideneamino]-3-(4-pentoxyphenyl)-1H-pyrazole-5-carboxamide
Also Known As: (E)-N'-(4-nitrobenzylidene)-3-(4-(pentyloxy)phenyl)-1H-pyrazole-5-carbohydrazide, N'-[(E)-(4-nitrophenyl)methylidene]-3-[4-(pentyloxy)phenyl]-1H-pyrazole-5-carbohydrazide, N-[(1E)-2-(4-nitrophenyl)-1-azavinyl][3-(4-pentyloxyphenyl)pyrazol-5-yl]carbox amide, N-[(E)-(4-nitrophenyl)methylideneamino]-3-(4-pentoxyphenyl)-1H-pyrazole-5-carboxamide
| Molecular Formula | C22H23N5O4 |
| Molecular Weight | 421.17502 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 421.17502 Da |
| Heavy Atoms | 31 |
| Complexity | 595.0 |
| SMILES | CCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | ZUDVOUDIWMDYNX-HZHRSRAPSA-N |
The XLogP value of 4.7 indicates that (E)-N'-(4-nitrobenzylidene)-3-(4-(pentyloxy)phenyl)-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)-N'-(4-nitrobenzylidene)-3-(4-(pentyloxy)phenyl)-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, (E)-N'-(4-nitrobenzylidene)-3-(4-(pentyloxy)phenyl)-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)-N'-(4-nitrobenzylidene)-3-(4-(pentyloxy)phenyl)-1H-pyrazole-5-carbohydrazide is 1285576-14-8.
The molecular formula of (E)-N'-(4-nitrobenzylidene)-3-(4-(pentyloxy)phenyl)-1H-pyrazole-5-carbohydrazide is C22H23N5O4.
The molecular weight of (E)-N'-(4-nitrobenzylidene)-3-(4-(pentyloxy)phenyl)-1H-pyrazole-5-carbohydrazide is 421.17502 g/mol.
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