2-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol

C17H18FN3OS — CID 16677817

IUPAC2-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccs1
InChIInChI=1S/C17H18FN3OS/c18-15-3-5-16(6-4-15)21-12-14(10-19-21)11-20(7-8-22)13-17-2-1-9-23-17/h1-6,9-10,12,22H,7-8,11,13H2
InChIKeyQYBFEODFCSRQLD-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.07
Rot. Bonds7

About 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol

2-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol (PubChem CID 16677817) has the molecular formula C17H18FN3OS and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol
PubChem CID16677817
Molecular FormulaC17H18FN3OS
Molecular Weight331.42 g/mol
Exact Mass331.12
IUPAC Name2-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccs1
InChIInChI=1S/C17H18FN3OS/c18-15-3-5-16(6-4-15)21-12-14(10-19-21)11-20(7-8-22)13-17-2-1-9-23-17/h1-6,9-10,12,22H,7-8,11,13H2
InChIKeyQYBFEODFCSRQLD-UHFFFAOYSA-N
XLogP3.07
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol (CID 16677817) is 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol is OCCN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccs1.
What is the InChIKey of 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol?
The InChIKey is QYBFEODFCSRQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3OS/c18-15-3-5-16(6-4-15)21-12-14(10-19-21)11-20(7-8-22)13-17-2-1-9-23-17/h1-6,9-10,12,22H,7-8,11,13H2.
What are the key properties of 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol?
2-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol has a molecular weight of 331.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 16677817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).