1-Methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one
TL;DR: 1-Methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one (CAS 105462-22-4) is a chemical compound with molecular formula C16H14N2O and molecular weight 250.11061 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-2,5-diphenylpyrazol-3-one
Also Known As: 1-Methyl-2,5-diphenyl-4-pyrazoline-3-one, 1-methyl-2,5-diphenylpyrazol-3-one, 1-Methyl-2,5-diphenyl-pyrazol-3-one, 1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one, 1-methyl-2,5-diphenyl-1H-pyrazol-3(2H)-one
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H14N2O |
| Molecular Weight | 250.11061 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.11061 Da |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
| SMILES | CN1C(=CC(=O)N1C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | BDBIMDGQZXKYGF-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one
Property Insights of 1-Methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one. With a topological polar surface area (TPSA) of 23.6 Ų, 1-Methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-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-Methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one?
The CAS number of 1-Methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one is 105462-22-4.
What is the molecular formula of 1-Methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one?
The molecular formula of 1-Methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one is C16H14N2O.
What is the molecular weight of 1-Methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one?
The molecular weight of 1-Methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one is 250.11061 g/mol.
Where can I buy 1-Methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one?
You can request a quote for 1-Methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.