Methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate
TL;DR: Methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate (CAS 1002033-72-8) is a chemical compound with molecular formula C9H11F3N2O2 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoate
Also Known As: Methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate, methyl 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoate, methyl 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoate, 3-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-propionic acid methyl ester, methyl 3-[5-methyl-3-(trifluoromethyl)pyrazolyl]propanoate
| Molecular Formula | C9H11F3N2O2 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 1.77342 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.07726 |
| Heavy Atoms | 16 |
| Complexity | 384.59607 |
Chemical Identifiers
| CAS Number | 1002033-72-8 |
|---|---|
| SMILES | CC1=CC(=NN1CCC(=O)OC)C(F)(F)F |
Product Overview
Methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate (CAS 1002033-72-8), with molecular formula C9H11F3N2O2 and molecular weight 236.08 g/mol. IUPAC: methyl 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoate.
Chemical Property Profile of Methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate
Property Insights of Methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate
The XLogP value of 1.77342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate. With a topological polar surface area (TPSA) of 44.12 Ų, Methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate 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 Methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate?
The CAS number of Methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate is 1002033-72-8.
What is the molecular formula of Methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate?
The molecular formula of Methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate is C9H11F3N2O2.
What is the molecular weight of Methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate?
The molecular weight of Methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate is 236.08 g/mol.
Where can I buy Methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate?
You can request a quote for Methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.