(Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
TL;DR: (Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (CAS 1401355-81-4) is a chemical compound with molecular formula C18H16FN3O and molecular weight 309.12775 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(2-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: BAS 00404709, J3.121.191C, (Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, F0095-2240, 4-[(Z)-[(2-fluorophenyl)methylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
Technical Specifications
| Molecular Formula | C18H16FN3O |
| Molecular Weight | 309.12775 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.12775 Da |
| Heavy Atoms | 23 |
| Complexity | 510.0 |
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CC=C3F |
| InChIKey | WLRVCWPNIXYXEH-UHFFFAOYSA-N |
Chemical Property Profile of (Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Property Insights of (Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one. With a topological polar surface area (TPSA) of 35.9 Ų, (Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The CAS number of (Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is 1401355-81-4.
What is the molecular formula of (Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The molecular formula of (Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is C18H16FN3O.
What is the molecular weight of (Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The molecular weight of (Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is 309.12775 g/mol.
Where can I buy (Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
You can request a quote for (Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
Yes, CoreyChem provides custom synthesis services for (Z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.