7-fluoro-8-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-5-amine

C13H8F4N4 — CID 83164479

IUPAC7-fluoro-8-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-5-amine
SMILESNc1cc(F)c(-n2ccc(C(F)(F)F)n2)c2ncccc12
InChIInChI=1S/C13H8F4N4/c14-8-6-9(18)7-2-1-4-19-11(7)12(8)21-5-3-10(20-21)13(15,16)17/h1-6H,18H2
InChIKeyUXEWEVVVTQIEMS-UHFFFAOYSA-N
MW296.23 g/mol
LogP3.16
Rot. Bonds1

About 7-fluoro-8-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-5-amine

7-fluoro-8-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-5-amine (PubChem CID 83164479) has the molecular formula C13H8F4N4 and a molecular weight of 296.23 g/mol. Its IUPAC name is 7-fluoro-8-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-5-amine.

Molecular Properties

Compound Name7-fluoro-8-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-5-amine
PubChem CID83164479
Molecular FormulaC13H8F4N4
Molecular Weight296.23 g/mol
Exact Mass296.07
IUPAC Name7-fluoro-8-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-5-amine
SMILESNc1cc(F)c(-n2ccc(C(F)(F)F)n2)c2ncccc12
InChIInChI=1S/C13H8F4N4/c14-8-6-9(18)7-2-1-4-19-11(7)12(8)21-5-3-10(20-21)13(15,16)17/h1-6H,18H2
InChIKeyUXEWEVVVTQIEMS-UHFFFAOYSA-N
XLogP3.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-5-amine?
The IUPAC name of 7-fluoro-8-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-5-amine (CID 83164479) is 7-fluoro-8-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-5-amine.
What is the SMILES notation for 7-fluoro-8-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-5-amine?
The canonical SMILES for 7-fluoro-8-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-5-amine is Nc1cc(F)c(-n2ccc(C(F)(F)F)n2)c2ncccc12.
What is the InChIKey of 7-fluoro-8-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-5-amine?
The InChIKey is UXEWEVVVTQIEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N4/c14-8-6-9(18)7-2-1-4-19-11(7)12(8)21-5-3-10(20-21)13(15,16)17/h1-6H,18H2.
What are the key properties of 7-fluoro-8-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-5-amine?
7-fluoro-8-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-5-amine has a molecular weight of 296.23 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-5-amine is sourced from PubChem (CID 83164479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).