4-Chloro-1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-3-amine
TL;DR: 4-Chloro-1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-3-amine (CAS 1004452-00-9) is a chemical compound with molecular formula C11H9ClF3N3 and molecular weight 275.0437 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-amine
Also Known As: 4-Chloro-1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-3-amine, 4-chloro-1-[3-(trifluoromethyl)benzyl]-1H-pyrazol-3-amine, 1-Acetamido-3-amino-2,6-dimethylbenzene, 4-Chloro-1-(3-trifluoromethyl-benzyl)-1H-pyrazol-3-ylamine, 4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-amine
Technical Specifications
| Molecular Formula | C11H9ClF3N3 |
| Molecular Weight | 275.0437 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.0437 Da |
| Heavy Atoms | 18 |
| Complexity | 287.0 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CN2C=C(C(=N2)N)Cl |
| InChIKey | DUWLCAPMTGVIIE-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-3-amine
Property Insights of 4-Chloro-1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-3-amine
The XLogP value of 3.0 indicates that 4-Chloro-1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-3-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.8 Ų, 4-Chloro-1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-3-amine 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 4-Chloro-1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-3-amine?
The CAS number of 4-Chloro-1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-3-amine is 1004452-00-9.
What is the molecular formula of 4-Chloro-1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-3-amine?
The molecular formula of 4-Chloro-1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-3-amine is C11H9ClF3N3.
What is the molecular weight of 4-Chloro-1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-3-amine?
The molecular weight of 4-Chloro-1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-3-amine is 275.0437 g/mol.
Where can I buy 4-Chloro-1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-3-amine?
You can request a quote for 4-Chloro-1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-3-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-3-amine?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.