TL;DR: N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-3-(4-propoxyphenyl)-1H-pyrazole-5-carbohydrazide (CAS 1285493-48-2) is a chemical compound with molecular formula C20H18ClFN4O2 and molecular weight 400.11023 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide
Also Known As: N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-3-(4-propoxyphenyl)-1H-pyrazole-5-carbohydrazide, (E)-N'-(2-chloro-6-fluorobenzylidene)-3-(4-propoxyphenyl)-1H-pyrazole-5-carbohydrazide, N-[(1E)-2-(2-chloro-6-fluorophenyl)-1-azavinyl][3-(4-propoxyphenyl)pyrazol-5-y l]carboxamide, N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide
| Molecular Formula | C20H18ClFN4O2 |
| Molecular Weight | 400.11023 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 79.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.11023 Da |
| Heavy Atoms | 28 |
| Complexity | 530.0 |
| SMILES | CCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=C(C=CC=C3Cl)F |
| InChIKey | LGFXPWGQQLUGNA-FSJBWODESA-N |
The XLogP value of 4.7 indicates that N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-3-(4-propoxyphenyl)-1H-pyrazole-5-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-3-(4-propoxyphenyl)-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-3-(4-propoxyphenyl)-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 N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-3-(4-propoxyphenyl)-1H-pyrazole-5-carbohydrazide is 1285493-48-2.
The molecular formula of N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-3-(4-propoxyphenyl)-1H-pyrazole-5-carbohydrazide is C20H18ClFN4O2.
The molecular weight of N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-3-(4-propoxyphenyl)-1H-pyrazole-5-carbohydrazide is 400.11023 g/mol.
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