TL;DR: 3-(4-fluorophenyl)-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide (CAS 1310078-02-4) is a chemical compound with molecular formula C20H19FN4O and molecular weight 350.1543 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-fluorophenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: 3-(4-fluorophenyl)-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide, (E)-3-(4-fluorophenyl)-N'-(4-isopropylbenzylidene)-1H-pyrazole-5-carbohydrazide, 3-(4-fluorophenyl)-N'-[(E)-(4-isopropylphenyl)methylidene]-1H-pyrazole-5-carbohydrazide, 3-(4-fluorophenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide, 3-(4-FLUOROPHENYL)-N'-[(E)-[4-(PROPAN-2-YL)PHENYL]METHYLIDENE]-1H-PYRAZOLE-5-CARBOHYDRAZIDE
| Molecular Formula | C20H19FN4O |
| Molecular Weight | 350.1543 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.1543 Da |
| Heavy Atoms | 26 |
| Complexity | 482.0 |
| SMILES | CC(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F |
| InChIKey | KAYVHUVMVSRMLP-WSDLNYQXSA-N |
The XLogP value of 4.3 indicates that 3-(4-fluorophenyl)-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-fluorophenyl)-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-(4-fluorophenyl)-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-fluorophenyl)-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide is 1310078-02-4.
The molecular formula of 3-(4-fluorophenyl)-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide is C20H19FN4O.
The molecular weight of 3-(4-fluorophenyl)-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide is 350.1543 g/mol.
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