1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-fluorophenyl)ethanone
TL;DR: 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-fluorophenyl)ethanone (CAS 351332-94-0) is a chemical compound with molecular formula C13H13FN2O and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-dimethylpyrazol-1-yl)-2-(4-fluorophenyl)ethanone
Also Known As: BAS 02052977, 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-fluorophenyl)ethanone, 1-[(4-fluorophenyl)acetyl]-3,5-dimethyl-1H-pyrazole, F3386-5973, 1-(3,5-dimethylpyrazol-1-yl)-2-(4-fluorophenyl)ethanone
| Molecular Formula | C13H13FN2O |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 2.52194 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.1012 |
| Heavy Atoms | 17 |
| Complexity | 543.0471 |
Chemical Identifiers
| CAS Number | 351332-94-0 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)CC2=CC=C(C=C2)F)C |
Product Overview
1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-fluorophenyl)ethanone (CAS 351332-94-0), with molecular formula C13H13FN2O and molecular weight 232.10 g/mol. IUPAC: 1-(3,5-dimethylpyrazol-1-yl)-2-(4-fluorophenyl)ethanone.
Chemical Property Profile of 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-fluorophenyl)ethanone
Property Insights of 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-fluorophenyl)ethanone
The XLogP value of 2.52194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-fluorophenyl)ethanone. With a topological polar surface area (TPSA) of 34.89 Ų, 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-fluorophenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-fluorophenyl)ethanone 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
Frequently Asked Questions
What is the CAS number of 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-fluorophenyl)ethanone?
The CAS number of 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-fluorophenyl)ethanone is 351332-94-0.
What is the molecular formula of 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-fluorophenyl)ethanone?
The molecular formula of 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-fluorophenyl)ethanone is C13H13FN2O.
What is the molecular weight of 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-fluorophenyl)ethanone?
The molecular weight of 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-fluorophenyl)ethanone is 232.10 g/mol.
Where can I buy 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-fluorophenyl)ethanone?
You can request a quote for 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-fluorophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-fluorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-fluorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.