1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
TL;DR: 1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid (CAS 217073-76-2) is a chemical compound with molecular formula C11H9FN2O2 and molecular weight 220.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-5-methylpyrazole-4-carboxylic acid
Also Known As: 1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-5-methylpyrazole-4-carboxylic acid, 3-methylbenzothiophene-2-carbaldehyde, 3-Methyl-1-benzothiophene-2-carbaldehyde, 3-methyl-benzo[b]thiophene-2-carbaldehyde
| Molecular Formula | C11H9FN2O2 |
|---|---|
| Molecular Weight | 220.06 g/mol |
| LogP | 2.01802 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.0648 |
| Heavy Atoms | 16 |
| Complexity | 531.4176 |
Chemical Identifiers
| CAS Number | 217073-76-2 |
|---|---|
| SMILES | CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)O |
Product Overview
1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid (CAS 217073-76-2), with molecular formula C11H9FN2O2 and molecular weight 220.06 g/mol. IUPAC: 1-(4-fluorophenyl)-5-methylpyrazole-4-carboxylic acid.
Chemical Property Profile of 1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
Property Insights of 1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
The XLogP value of 2.01802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid has 1 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-carboxylic acid?
The CAS number of 1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid is 217073-76-2.
What is the molecular formula of 1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid?
The molecular formula of 1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid is C11H9FN2O2.
What is the molecular weight of 1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid?
The molecular weight of 1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid is 220.06 g/mol.
Where can I buy 1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid?
You can request a quote for 1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid 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-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.