1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]-N-methylmethanamine

C11H14FN3S — CID 121213651

IUPAC1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCF)nc1-c1ccsc1
InChIInChI=1S/C11H14FN3S/c1-13-6-10-7-15(4-3-12)14-11(10)9-2-5-16-8-9/h2,5,7-8,13H,3-4,6H2,1H3
InChIKeyRBWWWYTYGVIMLK-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.30
Rot. Bonds5

About 1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]-N-methylmethanamine

1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 121213651) has the molecular formula C11H14FN3S and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]-N-methylmethanamine
PubChem CID121213651
Molecular FormulaC11H14FN3S
Molecular Weight239.32 g/mol
Exact Mass239.09
IUPAC Name1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCF)nc1-c1ccsc1
InChIInChI=1S/C11H14FN3S/c1-13-6-10-7-15(4-3-12)14-11(10)9-2-5-16-8-9/h2,5,7-8,13H,3-4,6H2,1H3
InChIKeyRBWWWYTYGVIMLK-UHFFFAOYSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2805457
5-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 16191379
2-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]ethanamine
CID 4792479
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]-N-methylmethanamine (CID 121213651) is 1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]-N-methylmethanamine is CNCc1cn(CCF)nc1-c1ccsc1.
What is the InChIKey of 1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is RBWWWYTYGVIMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3S/c1-13-6-10-7-15(4-3-12)14-11(10)9-2-5-16-8-9/h2,5,7-8,13H,3-4,6H2,1H3.
What are the key properties of 1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]-N-methylmethanamine?
1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 239.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 121213651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).