5-(benzylamino)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
TL;DR: 5-(benzylamino)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile (CAS 318517-72-5) is a chemical compound with molecular formula C13H11F3N4 and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzylamino)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
Also Known As: Bionet2_000190, 5-(benzylamino)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile, 5-(benzylamino)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
| Molecular Formula | C13H11F3N4 |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 2.92268 |
| Topological Polar Surface Area | 53.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.09357 |
| Heavy Atoms | 20 |
| Complexity | 638.1164 |
Chemical Identifiers
| CAS Number | 318517-72-5 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C#N)NCC2=CC=CC=C2 |
Product Overview
5-(benzylamino)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile (CAS 318517-72-5), with molecular formula C13H11F3N4 and molecular weight 280.09 g/mol. IUPAC: 5-(benzylamino)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of 5-(benzylamino)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
Property Insights of 5-(benzylamino)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
The XLogP value of 2.92268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(benzylamino)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile. With a topological polar surface area (TPSA) of 53.64 Ų, 5-(benzylamino)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(benzylamino)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile 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 5-(benzylamino)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
The CAS number of 5-(benzylamino)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile is 318517-72-5.
What is the molecular formula of 5-(benzylamino)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-(benzylamino)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile is C13H11F3N4.
What is the molecular weight of 5-(benzylamino)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-(benzylamino)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile is 280.09 g/mol.
Where can I buy 5-(benzylamino)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-(benzylamino)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(benzylamino)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzylamino)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.