TL;DR: (E)-3-(2,5-dichlorophenyl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide (CAS 1285540-33-1) is a chemical compound with molecular formula C17H11Cl2N5O3 and molecular weight 403.0239 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,5-dichlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: 3-(2,5-dichlorophenyl)-N'-[(E)-(3-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide, (E)-3-(2,5-dichlorophenyl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide, 3-(2,5-dichlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide, N-[(1E)-2-(3-nitrophenyl)-1-azavinyl][3-(2,5-dichlorophenyl)pyrazol-5-yl]carbo xamide
| Molecular Formula | C17H11Cl2N5O3 |
| Molecular Weight | 403.0239 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.0239 Da |
| Heavy Atoms | 27 |
| Complexity | 573.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/NC(=O)C2=CC(=NN2)C3=C(C=CC(=C3)Cl)Cl |
| InChIKey | RQJUVQASMPXXPX-AWQFTUOYSA-N |
The XLogP value of 4.2 indicates that (E)-3-(2,5-dichlorophenyl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(2,5-dichlorophenyl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, (E)-3-(2,5-dichlorophenyl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-3-(2,5-dichlorophenyl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide is 1285540-33-1.
The molecular formula of (E)-3-(2,5-dichlorophenyl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide is C17H11Cl2N5O3.
The molecular weight of (E)-3-(2,5-dichlorophenyl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide is 403.0239 g/mol.
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