![4-chloro-N-{[5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline structure](/static/products/955/955975-52-7.png)
4-chloro-N-{[5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline
TL;DR: 4-chloro-N-{[5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline (CAS 955975-52-7) is a chemical compound with molecular formula C13H13ClF3N3O and molecular weight 319.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[[5-methoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]aniline
Also Known As: 4-chloro-N-{[5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline, 9R-1141, 4-chloro-N-[[5-methoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]aniline, 4-Chloro-N-{5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-ylmethyl}aniline
| Molecular Formula | C13H13ClF3N3O |
|---|---|
| Molecular Weight | 319.07 g/mol |
| LogP | 3.713 |
| Topological Polar Surface Area | 39.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.06992 |
| Heavy Atoms | 21 |
| Complexity | 622.8271 |
Chemical Identifiers
| CAS Number | 955975-52-7 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)CNC2=CC=C(C=C2)Cl)OC |
Product Overview
4-chloro-N-{[5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline (CAS 955975-52-7), with molecular formula C13H13ClF3N3O and molecular weight 319.07 g/mol. IUPAC: 4-chloro-N-[[5-methoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]aniline.
Chemical Property Profile of 4-chloro-N-{[5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline
Property Insights of 4-chloro-N-{[5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline
The XLogP value of 3.713 indicates that 4-chloro-N-{[5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.08 Ų, 4-chloro-N-{[5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-{[5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline has 1 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 4-chloro-N-{[5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline?
The CAS number of 4-chloro-N-{[5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline is 955975-52-7.
What is the molecular formula of 4-chloro-N-{[5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline?
The molecular formula of 4-chloro-N-{[5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline is C13H13ClF3N3O.
What is the molecular weight of 4-chloro-N-{[5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline?
The molecular weight of 4-chloro-N-{[5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline is 319.07 g/mol.
Where can I buy 4-chloro-N-{[5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline?
You can request a quote for 4-chloro-N-{[5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-{[5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-{[5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.