![4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/1164/1164502-40-2.webp)
4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one (CAS 1164502-40-2) is a chemical compound with molecular formula C16H12ClN3O and molecular weight 297.0669 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(3-chlorophenyl)iminomethyl]-5-phenyl-1,2-dihydropyrazol-3-one
Also Known As: 4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one, 9B-113, 4-{[(3-chlorophenyl)amino]methylidene}-3-phenyl-4,5-dihydro-1H-pyrazol-5-one, 4-[(3-chlorophenyl)iminomethyl]-5-phenyl-1,2-dihydropyrazol-3-one, 4-[(3-chloroanilino)methylidene]-3-phenyl-1H-pyrazol-5-one
Technical Specifications
| Molecular Formula | C16H12ClN3O |
| Molecular Weight | 297.0669 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 53.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.0669 Da |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)NN2)C=NC3=CC(=CC=C3)Cl |
| InChIKey | CQTUCAFQCSOJII-UHFFFAOYSA-N |
Chemical Property Profile of 4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 3.5 indicates that 4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.5 Ų, 4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one is 1164502-40-2.
What is the molecular formula of 4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one is C16H12ClN3O.
What is the molecular weight of 4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one is 297.0669 g/mol.
Where can I buy 4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, CoreyChem provides custom synthesis services for 4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.