4-Methyl-1-phenylpyrazolidin-3-one
TL;DR: 4-Methyl-1-phenylpyrazolidin-3-one (CAS 2654-57-1) is a chemical compound with molecular formula C10H12N2O and molecular weight 176.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-1-phenylpyrazolidin-3-one
Also Known As: 4-methyl-1-phenylpyrazolidin-3-one, Phenidone B, 1-Phenyl-4-methyl-3-pyrazolidone, 3-Pyrazolidinone, 4-methyl-1-phenyl-, pyrazolidone b
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12N2O |
| Molecular Weight | 176.09496 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.09496 Da |
| Heavy Atoms | 13 |
| Complexity | 199.0 |
| Solubility | 19 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | CC1CN(NC1=O)C2=CC=CC=C2 |
| InChIKey | ZZEYCGJAYIHIAZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methyl-1-phenylpyrazolidin-3-one
Property Insights of 4-Methyl-1-phenylpyrazolidin-3-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1-phenylpyrazolidin-3-one. With a topological polar surface area (TPSA) of 32.3 Ų, 4-Methyl-1-phenylpyrazolidin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-1-phenylpyrazolidin-3-one has 1 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 4-Methyl-1-phenylpyrazolidin-3-one?
The CAS number of 4-Methyl-1-phenylpyrazolidin-3-one is 2654-57-1.
What is the molecular formula of 4-Methyl-1-phenylpyrazolidin-3-one?
The molecular formula of 4-Methyl-1-phenylpyrazolidin-3-one is C10H12N2O.
What is the molecular weight of 4-Methyl-1-phenylpyrazolidin-3-one?
The molecular weight of 4-Methyl-1-phenylpyrazolidin-3-one is 176.09496 g/mol.
Where can I buy 4-Methyl-1-phenylpyrazolidin-3-one?
You can request a quote for 4-Methyl-1-phenylpyrazolidin-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methyl-1-phenylpyrazolidin-3-one?
Yes, CoreyChem provides custom synthesis services for 4-Methyl-1-phenylpyrazolidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.