Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)-
TL;DR: Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)- (CAS 6804-53-1) is a chemical compound with molecular formula C10H8F3N3 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
Also Known As: 4-(4-(TRIFLUOROMETHYL)PHENYL)-1H-PYRAZOL-5-AMINE, 2-Methyl-1-hexen-3-yne, 3-Amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)pyrazole, Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)-, 4-[4-(trifluoromethyl)phenyl]-1H-Pyrazol-3-amine
| Molecular Formula | C10H8F3N3 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.06703 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 6804-53-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(NN=C2)N)C(F)(F)F |
| InChIKey | CKHMZPKSCCBXJU-UHFFFAOYSA-N |
Product Overview
Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)- (CAS 6804-53-1), with molecular formula C10H8F3N3 and molecular weight 227.07 g/mol. IUPAC: 4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine.
Chemical Property Profile of Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)-
Property Insights of Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)-. With a topological polar surface area (TPSA) of 54.7 Ų, Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)- has 2 hydrogen bond donor(s) and 5 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 Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)-?
The CAS number of Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)- is 6804-53-1.
What is the molecular formula of Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)-?
The molecular formula of Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)- is C10H8F3N3.
What is the molecular weight of Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)-?
The molecular weight of Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)- is 227.07 g/mol.
Where can I buy Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)-?
You can request a quote for Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.