1-Benzyl-3-methyl-2-pyrazolin-5-one
TL;DR: 1-Benzyl-3-methyl-2-pyrazolin-5-one (CAS 946-23-6) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzyl-5-methyl-4H-pyrazol-3-one
Also Known As: 2-benzyl-5-methyl-4H-pyrazol-3-one, 1-Benzyl-3-methyl-1H-pyrazol-5(4H)-one, 1-Benzyl-3-methylpyrazolone-5, 2-Pyrazolin-5-one, 1-benzyl-3-methyl-, 1-Benzyl-3-methyl-2-pyrazolin-5-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12N2O |
| Molecular Weight | 188.09496 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.09496 Da |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
| SMILES | CC1=NN(C(=O)C1)CC2=CC=CC=C2 |
| InChIKey | MEDQPHZEAUFCTK-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzyl-3-methyl-2-pyrazolin-5-one
Property Insights of 1-Benzyl-3-methyl-2-pyrazolin-5-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-methyl-2-pyrazolin-5-one. With a topological polar surface area (TPSA) of 32.7 Ų, 1-Benzyl-3-methyl-2-pyrazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-methyl-2-pyrazolin-5-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-Benzyl-3-methyl-2-pyrazolin-5-one?
The CAS number of 1-Benzyl-3-methyl-2-pyrazolin-5-one is 946-23-6.
What is the molecular formula of 1-Benzyl-3-methyl-2-pyrazolin-5-one?
The molecular formula of 1-Benzyl-3-methyl-2-pyrazolin-5-one is C11H12N2O.
What is the molecular weight of 1-Benzyl-3-methyl-2-pyrazolin-5-one?
The molecular weight of 1-Benzyl-3-methyl-2-pyrazolin-5-one is 188.09496 g/mol.
Where can I buy 1-Benzyl-3-methyl-2-pyrazolin-5-one?
You can request a quote for 1-Benzyl-3-methyl-2-pyrazolin-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzyl-3-methyl-2-pyrazolin-5-one?
Yes, CoreyChem provides custom synthesis services for 1-Benzyl-3-methyl-2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.