TL;DR: 3-(2-Chlorophenyl)-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide (CAS 1299337-82-8) is a chemical compound with molecular formula C16H12ClN5O and molecular weight 325.07303 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-chlorophenyl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: BAS 01859123, (E)-3-(2-chlorophenyl)-N'-(pyridin-4-ylmethylene)-1H-pyrazole-5-carbohydrazide, 3-(2-CHLOROPHENYL)-N'-(4-PYRIDINYLMETHYLENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDE, 3-(2-CHLOROPHENYL)-N'-[(E)-(PYRIDIN-4-YL)METHYLIDENE]-1H-PYRAZOLE-5-CARBOHYDRAZIDE, 3-(2-chlorophenyl)-N'-[(E)-pyridin-4-ylmethylidene]-1H-pyrazole-5-carbohydrazide
| Molecular Formula | C16H12ClN5O |
| Molecular Weight | 325.07303 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.07303 Da |
| Heavy Atoms | 23 |
| Complexity | 427.0 |
| SMILES | C1=CC=C(C(=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=NC=C3)Cl |
| InChIKey | LODSTXWOJZKHHG-VXLYETTFSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chlorophenyl)-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Chlorophenyl)-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-(2-Chlorophenyl)-N'-(4-pyridinylmethylene)-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-(2-Chlorophenyl)-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide is 1299337-82-8.
The molecular formula of 3-(2-Chlorophenyl)-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide is C16H12ClN5O.
The molecular weight of 3-(2-Chlorophenyl)-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide is 325.07303 g/mol.
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