methyl 1-(4-fluorophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate
TL;DR: methyl 1-(4-fluorophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate (CAS 1007073-76-8) is a chemical compound with molecular formula C11H9FN2O3 and molecular weight 236.05972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(4-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylate
Also Known As: methyl 1-(4-fluorophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate, 1N-577S, methyl 2-(4-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylate, 1H-Pyrazole-3-carboxylic acid, 1-(4-fluorophenyl)-5-hydroxy-, methyl ester, methyl1-(4-fluorophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate
Technical Specifications
| Molecular Formula | C11H9FN2O3 |
| Molecular Weight | 236.05972 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.05972 Da |
| Heavy Atoms | 17 |
| Complexity | 362.0 |
| SMILES | COC(=O)C1=CC(=O)N(N1)C2=CC=C(C=C2)F |
| InChIKey | UQWJQRBYNJRULD-UHFFFAOYSA-N |
Chemical Property Profile of methyl 1-(4-fluorophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate
Property Insights of methyl 1-(4-fluorophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-(4-fluorophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate. With a topological polar surface area (TPSA) of 58.6 Ų, methyl 1-(4-fluorophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1-(4-fluorophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl 1-(4-fluorophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate?
The CAS number of methyl 1-(4-fluorophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate is 1007073-76-8.
What is the molecular formula of methyl 1-(4-fluorophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate?
The molecular formula of methyl 1-(4-fluorophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate is C11H9FN2O3.
What is the molecular weight of methyl 1-(4-fluorophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate?
The molecular weight of methyl 1-(4-fluorophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate is 236.05972 g/mol.
Where can I buy methyl 1-(4-fluorophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate?
You can request a quote for methyl 1-(4-fluorophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 1-(4-fluorophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 1-(4-fluorophenyl)-5-hydroxy-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.