1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride
TL;DR: 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride (CAS 423768-49-4) is a chemical compound with molecular formula C11H8ClFN2O and molecular weight 238.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl chloride
Also Known As: 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride, BUTTPARK 97\18-52, 1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl chloride, 1- -5-METHYL-1H-PYRAZOLE-4-CARBONYLCHLORIDE, I14-55371
| Molecular Formula | C11H8ClFN2O |
|---|---|
| Molecular Weight | 238.03 g/mol |
| LogP | 2.69882 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.03091 |
| Heavy Atoms | 16 |
| Complexity | 533.4176 |
Chemical Identifiers
| CAS Number | 423768-49-4 |
|---|---|
| SMILES | CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)Cl |
Product Overview
1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride (CAS 423768-49-4), with molecular formula C11H8ClFN2O and molecular weight 238.03 g/mol. IUPAC: 1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl chloride.
Chemical Property Profile of 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride
Property Insights of 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride
The XLogP value of 2.69882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride. With a topological polar surface area (TPSA) of 34.89 Ų, 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride 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-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride?
The CAS number of 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride is 423768-49-4.
What is the molecular formula of 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride?
The molecular formula of 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride is C11H8ClFN2O.
What is the molecular weight of 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride?
The molecular weight of 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride is 238.03 g/mol.
Where can I buy 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride?
You can request a quote for 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.