2,4-Dihydro-5-methyl-2-phenyl-4-propionyl-3H-pyrazol-3-one
TL;DR: 2,4-Dihydro-5-methyl-2-phenyl-4-propionyl-3H-pyrazol-3-one (CAS 31197-09-8) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-2-phenyl-4-propanoyl-4H-pyrazol-3-one
Also Known As: 2,4-DIHYDRO-5-METHYL-2-PHENYL-4-PROPIONYL-3H-PYRAZOL-3-ONE, 2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-propionyl-, 3-Methyl-1-phenyl-4-propionyl-2-pyrazolin-5-one, 5-methyl-2-phenyl-4-propanoyl-4H-pyrazol-3-one, 3-methyl-1-phenyl-4-propionyl-1H-pyrazol-5(4H)-one
Technical Specifications
| Molecular Formula | C13H14N2O2 |
| Molecular Weight | 230.10553 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.10553 Da |
| Heavy Atoms | 17 |
| Complexity | 356.0 |
| SMILES | CCC(=O)C1C(=NN(C1=O)C2=CC=CC=C2)C |
| InChIKey | HFGTVPSCLRKMJX-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Dihydro-5-methyl-2-phenyl-4-propionyl-3H-pyrazol-3-one
Property Insights of 2,4-Dihydro-5-methyl-2-phenyl-4-propionyl-3H-pyrazol-3-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dihydro-5-methyl-2-phenyl-4-propionyl-3H-pyrazol-3-one. With a topological polar surface area (TPSA) of 49.7 Ų, 2,4-Dihydro-5-methyl-2-phenyl-4-propionyl-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dihydro-5-methyl-2-phenyl-4-propionyl-3H-pyrazol-3-one has 0 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 2,4-Dihydro-5-methyl-2-phenyl-4-propionyl-3H-pyrazol-3-one?
The CAS number of 2,4-Dihydro-5-methyl-2-phenyl-4-propionyl-3H-pyrazol-3-one is 31197-09-8.
What is the molecular formula of 2,4-Dihydro-5-methyl-2-phenyl-4-propionyl-3H-pyrazol-3-one?
The molecular formula of 2,4-Dihydro-5-methyl-2-phenyl-4-propionyl-3H-pyrazol-3-one is C13H14N2O2.
What is the molecular weight of 2,4-Dihydro-5-methyl-2-phenyl-4-propionyl-3H-pyrazol-3-one?
The molecular weight of 2,4-Dihydro-5-methyl-2-phenyl-4-propionyl-3H-pyrazol-3-one is 230.10553 g/mol.
Where can I buy 2,4-Dihydro-5-methyl-2-phenyl-4-propionyl-3H-pyrazol-3-one?
You can request a quote for 2,4-Dihydro-5-methyl-2-phenyl-4-propionyl-3H-pyrazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Dihydro-5-methyl-2-phenyl-4-propionyl-3H-pyrazol-3-one?
Yes, CoreyChem provides custom synthesis services for 2,4-Dihydro-5-methyl-2-phenyl-4-propionyl-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.