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

C18H12F3N3S — CID 70179071

IUPAC4-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline
SMILESCc1cc(-n2nc(-c3cccs3)cc2C(F)(F)F)nc2ccccc12
InChIInChI=1S/C18H12F3N3S/c1-11-9-17(22-13-6-3-2-5-12(11)13)24-16(18(19,20)21)10-14(23-24)15-7-4-8-25-15/h2-10H,1H3
InChIKeyHCHINYNSKRZJRD-UHFFFAOYSA-N
MW359.38 g/mol
LogP5.48
Rot. Bonds2

About 4-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline

4-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline (PubChem CID 70179071) has the molecular formula C18H12F3N3S and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline.

Molecular Properties

Compound Name4-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline
PubChem CID70179071
Molecular FormulaC18H12F3N3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC Name4-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline
SMILESCc1cc(-n2nc(-c3cccs3)cc2C(F)(F)F)nc2ccccc12
InChIInChI=1S/C18H12F3N3S/c1-11-9-17(22-13-6-3-2-5-12(11)13)24-16(18(19,20)21)10-14(23-24)15-7-4-8-25-15/h2-10H,1H3
InChIKeyHCHINYNSKRZJRD-UHFFFAOYSA-N
XLogP5.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.38
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-4-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline
CID 11696571
4-methyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine
CID 17035779
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673
4-methyl-2-(5-propan-2-ylpyrazol-1-yl)quinoline
CID 10800759
2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 754784
4-thiophen-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 116967666
4-phenyl-2-thiophen-2-ylquinoline
CID 8966250
2-methyl-4-thiophen-2-ylquinoline
CID 11746306
4-methyl-2-(3-methylpyrazol-1-yl)quinoline
CID 10561051
2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 15325355
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbaldehyde
CID 91396738

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline?
The IUPAC name of 4-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline (CID 70179071) is 4-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline.
What is the SMILES notation for 4-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline?
The canonical SMILES for 4-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline is Cc1cc(-n2nc(-c3cccs3)cc2C(F)(F)F)nc2ccccc12.
What is the InChIKey of 4-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline?
The InChIKey is HCHINYNSKRZJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3S/c1-11-9-17(22-13-6-3-2-5-12(11)13)24-16(18(19,20)21)10-14(23-24)15-7-4-8-25-15/h2-10H,1H3.
What are the key properties of 4-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline?
4-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline has a molecular weight of 359.38 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline is sourced from PubChem (CID 70179071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).