Ethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylate
TL;DR: Ethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylate (CAS 618070-48-7) is a chemical compound with molecular formula C14H15FN2O2 and molecular weight 262.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylate
Also Known As: ETHYL 1-(4-FLUOROBENZYL)-5-METHYL-1H-PYRAZOLE-3-CARBOXYLATE, SALOR-INT L201359-1EA, Ethyl 1-[(4-fluorophenyl)methyl]-5-methyl-pyrazole-3-carboxylate, ethyl 1-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylate
| Molecular Formula | C14H15FN2O2 |
|---|---|
| Molecular Weight | 262.11 g/mol |
| LogP | 2.55562 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.11176 |
| Heavy Atoms | 19 |
| Complexity | 575.63196 |
Chemical Identifiers
| CAS Number | 618070-48-7 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=C1)C)CC2=CC=C(C=C2)F |
Product Overview
Ethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylate (CAS 618070-48-7), with molecular formula C14H15FN2O2 and molecular weight 262.11 g/mol. IUPAC: ethyl 1-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylate.
Chemical Property Profile of Ethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylate
Property Insights of Ethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylate
The XLogP value of 2.55562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylate. With a topological polar surface area (TPSA) of 44.12 Ų, Ethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylate has 0 hydrogen bond donor(s) and 3 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 Ethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylate?
The CAS number of Ethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylate is 618070-48-7.
What is the molecular formula of Ethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylate?
The molecular formula of Ethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylate is C14H15FN2O2.
What is the molecular weight of Ethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylate?
The molecular weight of Ethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylate is 262.11 g/mol.
Where can I buy Ethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylate?
You can request a quote for Ethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.