![methyl 3-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate structure](/static/products/4000/400076-48-4.webp)
methyl 3-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate
TL;DR: methyl 3-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate (CAS 400076-48-4) is a chemical compound with molecular formula C17H12F3N3O2 and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
Also Known As: 12D-914, methyl 3-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate, methyl 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate, Methyl 3-(pyridin-3-yl)-1-(3-(trifluoromethyl)phenyl)-1H-pyrazole-4-carboxylate, methyl 3-(pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate
| Molecular Formula | C17H12F3N3O2 |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 3.7397 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.08817 |
| Heavy Atoms | 25 |
| Complexity | 905.0016 |
Chemical Identifiers
| CAS Number | 400076-48-4 |
|---|---|
| SMILES | COC(=O)C1=CN(N=C1C2=CN=CC=C2)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
methyl 3-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate (CAS 400076-48-4), with molecular formula C17H12F3N3O2 and molecular weight 347.09 g/mol. IUPAC: methyl 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate.
Chemical Property Profile of methyl 3-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate
Property Insights of methyl 3-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate
The XLogP value of 3.7397 indicates that methyl 3-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, methyl 3-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate has 0 hydrogen bond donor(s) and 4 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-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate?
The CAS number of methyl 3-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate is 400076-48-4.
What is the molecular formula of methyl 3-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate?
The molecular formula of methyl 3-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate is C17H12F3N3O2.
What is the molecular weight of methyl 3-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate?
The molecular weight of methyl 3-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate is 347.09 g/mol.
Where can I buy methyl 3-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate?
You can request a quote for methyl 3-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.