1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]-N-methylmethanamine

C11H14FN3S — CID 121211276

IUPAC1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccsc2)nn1CCF
InChIInChI=1S/C11H14FN3S/c1-13-7-10-6-11(9-2-5-16-8-9)14-15(10)4-3-12/h2,5-6,8,13H,3-4,7H2,1H3
InChIKeyFZWMJSMLLLLOLF-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.30
Rot. Bonds5

About 1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]-N-methylmethanamine

1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]-N-methylmethanamine (PubChem CID 121211276) 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-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]-N-methylmethanamine
PubChem CID121211276
Molecular FormulaC11H14FN3S
Molecular Weight239.32 g/mol
Exact Mass239.09
IUPAC Name1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccsc2)nn1CCF
InChIInChI=1S/C11H14FN3S/c1-13-7-10-6-11(9-2-5-16-8-9)14-15(10)4-3-12/h2,5-6,8,13H,3-4,7H2,1H3
InChIKeyFZWMJSMLLLLOLF-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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]-N-methylmethanamine (CID 121211276) is 1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]-N-methylmethanamine is CNCc1cc(-c2ccsc2)nn1CCF.
What is the InChIKey of 1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]-N-methylmethanamine?
The InChIKey is FZWMJSMLLLLOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3S/c1-13-7-10-6-11(9-2-5-16-8-9)14-15(10)4-3-12/h2,5-6,8,13H,3-4,7H2,1H3.
What are the key properties of 1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-yl]-N-methylmethanamine?
1-[1-(2-fluoroethyl)-3-thiophen-3-ylpyrazol-5-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-5-yl]-N-methylmethanamine is sourced from PubChem (CID 121211276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).