1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-thiophen-3-yl-2H-quinoline

C18H14F3N3S — CID 162619685

IUPAC1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-thiophen-3-yl-2H-quinoline
SMILESCn1nc(C(F)(F)F)cc1N1CC(c2ccsc2)=Cc2ccccc21
InChIInChI=1S/C18H14F3N3S/c1-23-17(9-16(22-23)18(19,20)21)24-10-14(13-6-7-25-11-13)8-12-4-2-3-5-15(12)24/h2-9,11H,10H2,1H3
InChIKeyMHTKRVXBIVLJPL-UHFFFAOYSA-N
MW361.39 g/mol
LogP5.19
Rot. Bonds2

About 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-thiophen-3-yl-2H-quinoline

1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-thiophen-3-yl-2H-quinoline (PubChem CID 162619685) has the molecular formula C18H14F3N3S and a molecular weight of 361.39 g/mol. Its IUPAC name is 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-thiophen-3-yl-2H-quinoline.

Molecular Properties

Compound Name1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-thiophen-3-yl-2H-quinoline
PubChem CID162619685
Molecular FormulaC18H14F3N3S
Molecular Weight361.39 g/mol
Exact Mass361.09
IUPAC Name1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-thiophen-3-yl-2H-quinoline
SMILESCn1nc(C(F)(F)F)cc1N1CC(c2ccsc2)=Cc2ccccc21
InChIInChI=1S/C18H14F3N3S/c1-23-17(9-16(22-23)18(19,20)21)24-10-14(13-6-7-25-11-13)8-12-4-2-3-5-15(12)24/h2-9,11H,10H2,1H3
InChIKeyMHTKRVXBIVLJPL-UHFFFAOYSA-N
XLogP5.19
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.39
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-thiophen-3-yl-2H-quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-thiophen-3-yl-2H-quinoline?
The IUPAC name of 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-thiophen-3-yl-2H-quinoline (CID 162619685) is 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-thiophen-3-yl-2H-quinoline.
What is the SMILES notation for 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-thiophen-3-yl-2H-quinoline?
The canonical SMILES for 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-thiophen-3-yl-2H-quinoline is Cn1nc(C(F)(F)F)cc1N1CC(c2ccsc2)=Cc2ccccc21.
What is the InChIKey of 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-thiophen-3-yl-2H-quinoline?
The InChIKey is MHTKRVXBIVLJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3S/c1-23-17(9-16(22-23)18(19,20)21)24-10-14(13-6-7-25-11-13)8-12-4-2-3-5-15(12)24/h2-9,11H,10H2,1H3.
What are the key properties of 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-thiophen-3-yl-2H-quinoline?
1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-thiophen-3-yl-2H-quinoline has a molecular weight of 361.39 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-thiophen-3-yl-2H-quinoline is sourced from PubChem (CID 162619685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).