1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole
TL;DR: 1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole (CAS 100134-56-3) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11061 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
Also Known As: 1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole, 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone, 1H-Pyrazole, 1-acetyl-4,5-dihydro-3-methyl-5-phenyl-, AS-662/43471457, 1-(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
Technical Specifications
| Molecular Formula | C12H14N2O |
| Molecular Weight | 202.11061 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.11061 Da |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
| SMILES | CC1=NN(C(C1)C2=CC=CC=C2)C(=O)C |
| InChIKey | DFKZGQLECGUOJV-UHFFFAOYSA-N |
Chemical Property Profile of 1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole
Property Insights of 1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole. With a topological polar surface area (TPSA) of 32.7 Ų, 1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole 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-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole?
The CAS number of 1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole is 100134-56-3.
What is the molecular formula of 1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole?
The molecular formula of 1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole is C12H14N2O.
What is the molecular weight of 1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole?
The molecular weight of 1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole is 202.11061 g/mol.
Where can I buy 1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole?
You can request a quote for 1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole?
Yes, CoreyChem provides custom synthesis services for 1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.