1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
TL;DR: 1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid (CAS 1003521-46-7) is a chemical compound with molecular formula C12H11FN2O2 and molecular weight 234.08046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid
Also Known As: 1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid, 1-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid, 1-(3-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxylic Acid, 1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylicacid, 4,4'-Bipyridinium, 1-(4-iodobutyl)-1'-methyl-, compd. with1,2-oxathiolane 2,2-dioxide andpoly[imino[2-(dimethylamino)-1-oxo-1,6-hexanediyl]]OTHER CA INDEX NAMES:1,2-Oxathiolane, 2,2-dioxide, compd. with1-(4-iodobutyl)-1'-methyl-4,4'-bipyridinium andpoly[imino[2-(dimethylamino)-1-oxo-1,6-hexanediyl]]Poly[imino[2-(dimethylamino)-1
Technical Specifications
| Molecular Formula | C12H11FN2O2 |
| Molecular Weight | 234.08046 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.08046 Da |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
| SMILES | CC1=C(C(=NN1C2=CC(=CC=C2)F)C)C(=O)O |
| InChIKey | LJACJQBZZIQQAS-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
Property Insights of 1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid?
The CAS number of 1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid is 1003521-46-7.
What is the molecular formula of 1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid?
The molecular formula of 1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid is C12H11FN2O2.
What is the molecular weight of 1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid?
The molecular weight of 1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid is 234.08046 g/mol.
Where can I buy 1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid?
You can request a quote for 1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.