1-(2,4-Dimethylphenyl)-3-phenyl-1H-pyrazole-5(4H)-one
TL;DR: 1-(2,4-Dimethylphenyl)-3-phenyl-1H-pyrazole-5(4H)-one (CAS 100375-10-8) is a chemical compound with molecular formula C17H16N2O and molecular weight 264.12625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,4-dimethylphenyl)-5-phenyl-4H-pyrazol-3-one
Also Known As: 1-(2,4-Dimethylphenyl)-3-phenyl-1H-pyrazole-5(4H)-one, 1-(2,4-Dimethylphenyl)-3-phenyl-1H-pyrazol-5(4H)-one, 2-(2,4-dimethylphenyl)-5-phenyl-4H-pyrazol-3-one, 7148AC, 2-(2,4-Dimethylphenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Technical Specifications
| Molecular Formula | C17H16N2O |
| Molecular Weight | 264.12625 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.12625 Da |
| Heavy Atoms | 20 |
| Complexity | 398.0 |
| SMILES | CC1=CC(=C(C=C1)N2C(=O)CC(=N2)C3=CC=CC=C3)C |
| InChIKey | WRZVVRSAOFCMJO-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2,4-Dimethylphenyl)-3-phenyl-1H-pyrazole-5(4H)-one
Property Insights of 1-(2,4-Dimethylphenyl)-3-phenyl-1H-pyrazole-5(4H)-one
The XLogP value of 3.7 indicates that 1-(2,4-Dimethylphenyl)-3-phenyl-1H-pyrazole-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 1-(2,4-Dimethylphenyl)-3-phenyl-1H-pyrazole-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,4-Dimethylphenyl)-3-phenyl-1H-pyrazole-5(4H)-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(2,4-Dimethylphenyl)-3-phenyl-1H-pyrazole-5(4H)-one?
The CAS number of 1-(2,4-Dimethylphenyl)-3-phenyl-1H-pyrazole-5(4H)-one is 100375-10-8.
What is the molecular formula of 1-(2,4-Dimethylphenyl)-3-phenyl-1H-pyrazole-5(4H)-one?
The molecular formula of 1-(2,4-Dimethylphenyl)-3-phenyl-1H-pyrazole-5(4H)-one is C17H16N2O.
What is the molecular weight of 1-(2,4-Dimethylphenyl)-3-phenyl-1H-pyrazole-5(4H)-one?
The molecular weight of 1-(2,4-Dimethylphenyl)-3-phenyl-1H-pyrazole-5(4H)-one is 264.12625 g/mol.
Where can I buy 1-(2,4-Dimethylphenyl)-3-phenyl-1H-pyrazole-5(4H)-one?
You can request a quote for 1-(2,4-Dimethylphenyl)-3-phenyl-1H-pyrazole-5(4H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2,4-Dimethylphenyl)-3-phenyl-1H-pyrazole-5(4H)-one?
Yes, CoreyChem provides custom synthesis services for 1-(2,4-Dimethylphenyl)-3-phenyl-1H-pyrazole-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.