(3,5-dimethyl-1H-pyrazol-1-yl)(pentafluorophenyl)methanone
TL;DR: (3,5-dimethyl-1H-pyrazol-1-yl)(pentafluorophenyl)methanone (CAS 540801-44-3) is a chemical compound with molecular formula C12H7F5N2O and molecular weight 290.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylpyrazol-1-yl)-(2,3,4,5,6-pentafluorophenyl)methanone
Also Known As: F3386-5800, (3,5-dimethyl-1H-pyrazol-1-yl)(pentafluorophenyl)methanone, 3,5-dimethylpyrazolyl 2,3,4,5,6-pentafluorophenyl ketone, 3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrazole, (3,5-dimethylpyrazol-1-yl)-(2,3,4,5,6-pentafluorophenyl)methanone
| Molecular Formula | C12H7F5N2O |
|---|---|
| Molecular Weight | 290.05 g/mol |
| LogP | 2.88394 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.04785 |
| Heavy Atoms | 20 |
| Complexity | 694.1182 |
Chemical Identifiers
| CAS Number | 540801-44-3 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C2=C(C(=C(C(=C2F)F)F)F)F)C |
Product Overview
(3,5-dimethyl-1H-pyrazol-1-yl)(pentafluorophenyl)methanone (CAS 540801-44-3), with molecular formula C12H7F5N2O and molecular weight 290.05 g/mol. IUPAC: (3,5-dimethylpyrazol-1-yl)-(2,3,4,5,6-pentafluorophenyl)methanone.
Chemical Property Profile of (3,5-dimethyl-1H-pyrazol-1-yl)(pentafluorophenyl)methanone
Property Insights of (3,5-dimethyl-1H-pyrazol-1-yl)(pentafluorophenyl)methanone
The XLogP value of 2.88394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,5-dimethyl-1H-pyrazol-1-yl)(pentafluorophenyl)methanone. With a topological polar surface area (TPSA) of 34.89 Ų, (3,5-dimethyl-1H-pyrazol-1-yl)(pentafluorophenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,5-dimethyl-1H-pyrazol-1-yl)(pentafluorophenyl)methanone 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 (3,5-dimethyl-1H-pyrazol-1-yl)(pentafluorophenyl)methanone?
The CAS number of (3,5-dimethyl-1H-pyrazol-1-yl)(pentafluorophenyl)methanone is 540801-44-3.
What is the molecular formula of (3,5-dimethyl-1H-pyrazol-1-yl)(pentafluorophenyl)methanone?
The molecular formula of (3,5-dimethyl-1H-pyrazol-1-yl)(pentafluorophenyl)methanone is C12H7F5N2O.
What is the molecular weight of (3,5-dimethyl-1H-pyrazol-1-yl)(pentafluorophenyl)methanone?
The molecular weight of (3,5-dimethyl-1H-pyrazol-1-yl)(pentafluorophenyl)methanone is 290.05 g/mol.
Where can I buy (3,5-dimethyl-1H-pyrazol-1-yl)(pentafluorophenyl)methanone?
You can request a quote for (3,5-dimethyl-1H-pyrazol-1-yl)(pentafluorophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-dimethyl-1H-pyrazol-1-yl)(pentafluorophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3,5-dimethyl-1H-pyrazol-1-yl)(pentafluorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.