TL;DR: BAS 01859081 (CAS 1285540-45-5) is a chemical compound with molecular formula C17H12FN5O3 and molecular weight 353.0924 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-fluorophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: BAS 01859081, 3-(4-fluorophenyl)-N'-[(E)-(4-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide, (E)-3-(4-fluorophenyl)-N'-(4-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide, 3-(4-FLUOROPHENYL)-N'-(4-NITROBENZYLIDENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDE, 3-(4-fluorophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
| Molecular Formula | C17H12FN5O3 |
| Molecular Weight | 353.0924 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.0924 Da |
| Heavy Atoms | 26 |
| Complexity | 525.0 |
| SMILES | C1=CC(=CC=C1/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F)[N+](=O)[O-] |
| InChIKey | RYQWXLVTVDAVTN-VXLYETTFSA-N |
The XLogP value of 3.0 indicates that BAS 01859081 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 BAS 01859081. Following Lipinski's Rule of Five, BAS 01859081 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BAS 01859081 is 1285540-45-5.
The molecular formula of BAS 01859081 is C17H12FN5O3.
The molecular weight of BAS 01859081 is 353.0924 g/mol.
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