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

C12H14F3N3S — CID 80728743

IUPACN-methyl-1-[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine
SMILESCNCc1cc(Cn2ccc(C(F)(F)F)n2)c(C)s1
InChIInChI=1S/C12H14F3N3S/c1-8-9(5-10(19-8)6-16-2)7-18-4-3-11(17-18)12(13,14)15/h3-5,16H,6-7H2,1-2H3
InChIKeyWLXLUWRWHUZKOD-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.04
Rot. Bonds4

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

N-methyl-1-[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine (PubChem CID 80728743) has the molecular formula C12H14F3N3S and a molecular weight of 289.33 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine
PubChem CID80728743
Molecular FormulaC12H14F3N3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC NameN-methyl-1-[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine
SMILESCNCc1cc(Cn2ccc(C(F)(F)F)n2)c(C)s1
InChIInChI=1S/C12H14F3N3S/c1-8-9(5-10(19-8)6-16-2)7-18-4-3-11(17-18)12(13,14)15/h3-5,16H,6-7H2,1-2H3
InChIKeyWLXLUWRWHUZKOD-UHFFFAOYSA-N
XLogP3.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3-methyl-2-thienyl)phenyl]-1-(3-pyrrolidinylmethyl)-1H-pyrazole
CID 45202806
US11026923, Example 65
CID 155773326
2,4-difluoro-N-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}aniline
CID 6623236
1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43435410
1-methyl-N-[(5-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43435419
1-benzyl-N-[(5-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 45881588
1-[(1,3-Dimethyl-1H-pyrazol-4-YL)methyl]-2-(3-methylthiophen-2-YL)azepane
CID 46366472
1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methyl-2-thienyl)azepane
CID 46366473
1-ethyl-N-[(5-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 72124368
1-(4-Fluorophenyl)-4-thiophen-2-ylpyrazole
CID 134965137
3-Thiophen-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 135064284
N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine
CID 6906400

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine (CID 80728743) is N-methyl-1-[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine is CNCc1cc(Cn2ccc(C(F)(F)F)n2)c(C)s1.
What is the InChIKey of N-methyl-1-[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine?
The InChIKey is WLXLUWRWHUZKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3S/c1-8-9(5-10(19-8)6-16-2)7-18-4-3-11(17-18)12(13,14)15/h3-5,16H,6-7H2,1-2H3.
What are the key properties of N-methyl-1-[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine?
N-methyl-1-[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine has a molecular weight of 289.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 80728743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).