2-(3-Fluorophenyl)-1,5-dimethyl-1,2-dihydro-3h-pyrazol-3-one
TL;DR: 2-(3-Fluorophenyl)-1,5-dimethyl-1,2-dihydro-3h-pyrazol-3-one (CAS 6948-39-6) is a chemical compound with molecular formula C11H11FN2O and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-fluorophenyl)-1,5-dimethylpyrazol-3-one
Also Known As: 2-(3-fluorophenyl)-1,5-dimethylpyrazol-3-one, 2-(3-fluorophenyl)-1,5-dimethyl-1,2-dihydro-3h-pyrazol-3-one, 2-(3-fluoro-phenyl)-1,5-dimethyl-1,2-dihydro-pyrazol-3-one
| Molecular Formula | C11H11FN2O |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.08554 |
| Heavy Atoms | 15 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 6948-39-6 |
|---|---|
| SMILES | CC1=CC(=O)N(N1C)C2=CC(=CC=C2)F |
| InChIKey | GFRLRQFXBGYRAQ-UHFFFAOYSA-N |
Product Overview
2-(3-Fluorophenyl)-1,5-dimethyl-1,2-dihydro-3h-pyrazol-3-one (CAS 6948-39-6), with molecular formula C11H11FN2O and molecular weight 206.09 g/mol. IUPAC: 2-(3-fluorophenyl)-1,5-dimethylpyrazol-3-one.
Chemical Property Profile of 2-(3-Fluorophenyl)-1,5-dimethyl-1,2-dihydro-3h-pyrazol-3-one
Property Insights of 2-(3-Fluorophenyl)-1,5-dimethyl-1,2-dihydro-3h-pyrazol-3-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Fluorophenyl)-1,5-dimethyl-1,2-dihydro-3h-pyrazol-3-one. With a topological polar surface area (TPSA) of 23.6 Ų, 2-(3-Fluorophenyl)-1,5-dimethyl-1,2-dihydro-3h-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Fluorophenyl)-1,5-dimethyl-1,2-dihydro-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
Frequently Asked Questions
What is the CAS number of 2-(3-Fluorophenyl)-1,5-dimethyl-1,2-dihydro-3h-pyrazol-3-one?
The CAS number of 2-(3-Fluorophenyl)-1,5-dimethyl-1,2-dihydro-3h-pyrazol-3-one is 6948-39-6.
What is the molecular formula of 2-(3-Fluorophenyl)-1,5-dimethyl-1,2-dihydro-3h-pyrazol-3-one?
The molecular formula of 2-(3-Fluorophenyl)-1,5-dimethyl-1,2-dihydro-3h-pyrazol-3-one is C11H11FN2O.
What is the molecular weight of 2-(3-Fluorophenyl)-1,5-dimethyl-1,2-dihydro-3h-pyrazol-3-one?
The molecular weight of 2-(3-Fluorophenyl)-1,5-dimethyl-1,2-dihydro-3h-pyrazol-3-one is 206.09 g/mol.
Where can I buy 2-(3-Fluorophenyl)-1,5-dimethyl-1,2-dihydro-3h-pyrazol-3-one?
You can request a quote for 2-(3-Fluorophenyl)-1,5-dimethyl-1,2-dihydro-3h-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Fluorophenyl)-1,5-dimethyl-1,2-dihydro-3h-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Fluorophenyl)-1,5-dimethyl-1,2-dihydro-3h-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.