TL;DR: N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]benzohydrazide (CAS 1246847-94-8) is a chemical compound with molecular formula C18H15ClN4O and molecular weight 338.09344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide
Also Known As: BAS 00315095, N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]benzohydrazide, N-[(1E)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1-azavinyl]benzamide, N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide, (E)-N'-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)benzohydrazide
| Molecular Formula | C18H15ClN4O |
| Molecular Weight | 338.09344 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.09344 Da |
| Heavy Atoms | 24 |
| Complexity | 446.0 |
| SMILES | CC1=NN(C(=C1/C=N/NC(=O)C2=CC=CC=C2)Cl)C3=CC=CC=C3 |
| InChIKey | HOOPMOKMRLIDDX-UDWIEESQSA-N |
The XLogP value of 4.2 indicates that N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]benzohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]benzohydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]benzohydrazide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]benzohydrazide is 1246847-94-8.
The molecular formula of N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]benzohydrazide is C18H15ClN4O.
The molecular weight of N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]benzohydrazide is 338.09344 g/mol.
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