N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine

C11H14FN3S — CID 122168695

IUPACN-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine
SMILESFCCn1cc(CNCc2cccs2)cn1
InChIInChI=1S/C11H14FN3S/c12-3-4-15-9-10(7-14-15)6-13-8-11-2-1-5-16-11/h1-2,5,7,9,13H,3-4,6,8H2
InChIKeyJIDZWSGWGPUMRW-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.20
Rot. Bonds6

About N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine

N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine (PubChem CID 122168695) has the molecular formula C11H14FN3S and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine
PubChem CID122168695
Molecular FormulaC11H14FN3S
Molecular Weight239.32 g/mol
Exact Mass239.09
IUPAC NameN-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine
SMILESFCCn1cc(CNCc2cccs2)cn1
InChIInChI=1S/C11H14FN3S/c12-3-4-15-9-10(7-14-15)6-13-8-11-2-1-5-16-11/h1-2,5,7,9,13H,3-4,6,8H2
InChIKeyJIDZWSGWGPUMRW-UHFFFAOYSA-N
XLogP2.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine (CID 122168695) is N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine is FCCn1cc(CNCc2cccs2)cn1.
What is the InChIKey of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is JIDZWSGWGPUMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3S/c12-3-4-15-9-10(7-14-15)6-13-8-11-2-1-5-16-11/h1-2,5,7,9,13H,3-4,6,8H2.
What are the key properties of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine?
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 239.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 122168695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).