6-fluoro-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinoline

C14H9F4N3 — CID 166395277

IUPAC6-fluoro-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinoline
SMILESFc1ccc2c(-c3cnn(CC(F)(F)F)c3)nccc2c1
InChIInChI=1S/C14H9F4N3/c15-11-1-2-12-9(5-11)3-4-19-13(12)10-6-20-21(7-10)8-14(16,17)18/h1-7H,8H2
InChIKeyRQYSDGMRCXAGLV-UHFFFAOYSA-N
MW295.24 g/mol
LogP3.80
Rot. Bonds2

About 6-fluoro-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinoline

6-fluoro-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinoline (PubChem CID 166395277) has the molecular formula C14H9F4N3 and a molecular weight of 295.24 g/mol. Its IUPAC name is 6-fluoro-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinoline.

Molecular Properties

Compound Name6-fluoro-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinoline
PubChem CID166395277
Molecular FormulaC14H9F4N3
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Name6-fluoro-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinoline
SMILESFc1ccc2c(-c3cnn(CC(F)(F)F)c3)nccc2c1
InChIInChI=1S/C14H9F4N3/c15-11-1-2-12-9(5-11)3-4-19-13(12)10-6-20-21(7-10)8-14(16,17)18/h1-7H,8H2
InChIKeyRQYSDGMRCXAGLV-UHFFFAOYSA-N
XLogP3.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanamine
CID 170765642
3-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzonitrile
CID 170765694
[2-fluoro-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol
CID 164885241
[2-fluoro-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol
CID 171364630
2-(1-ethylpyrazol-4-yl)-4-fluoropyridine
CID 102824444
6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine
CID 86707162
4-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 135205319
2-(difluoromethoxy)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]aniline
CID 171384969
8-fluoro-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline
CID 177091467
3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)aniline
CID 171394091
5-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-oxazole
CID 169163513
1-[1-(2,4,6-trimethylphenyl)pyrazol-4-yl]isoquinoline
CID 59661601

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinoline?
The IUPAC name of 6-fluoro-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinoline (CID 166395277) is 6-fluoro-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinoline.
What is the SMILES notation for 6-fluoro-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinoline?
The canonical SMILES for 6-fluoro-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinoline is Fc1ccc2c(-c3cnn(CC(F)(F)F)c3)nccc2c1.
What is the InChIKey of 6-fluoro-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinoline?
The InChIKey is RQYSDGMRCXAGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4N3/c15-11-1-2-12-9(5-11)3-4-19-13(12)10-6-20-21(7-10)8-14(16,17)18/h1-7H,8H2.
What are the key properties of 6-fluoro-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinoline?
6-fluoro-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinoline has a molecular weight of 295.24 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinoline is sourced from PubChem (CID 166395277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).