1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol

C14H13FN2OS — CID 115780349

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2cc3ccc(F)cc3s2)cn1
InChIInChI=1S/C14H13FN2OS/c1-17-8-9(7-16-17)4-12(18)14-5-10-2-3-11(15)6-13(10)19-14/h2-3,5-8,12,18H,4H2,1H3
InChIKeyYSWRJLGGWBHTHO-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.05
Rot. Bonds3

About 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol

1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol (PubChem CID 115780349) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol
PubChem CID115780349
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2cc3ccc(F)cc3s2)cn1
InChIInChI=1S/C14H13FN2OS/c1-17-8-9(7-16-17)4-12(18)14-5-10-2-3-11(15)6-13(10)19-14/h2-3,5-8,12,18H,4H2,1H3
InChIKeyYSWRJLGGWBHTHO-UHFFFAOYSA-N
XLogP3.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 81105961
1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780374
1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115812042
1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol
CID 115819038
2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 115785055
1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol
CID 81104324
1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030193
1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol
CID 115783093
(3S)-3-(6-fluoro-1-benzothiophen-2-yl)-3-hydroxypropanenitrile
CID 166011878
(3S)-3-(6-fluoro-1-benzothiophen-2-yl)-N',3-dihydroxypropanimidamide
CID 167565890
2-(1-methylpyrazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115780286
2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 107312501

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol (CID 115780349) is 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol is Cn1cc(CC(O)c2cc3ccc(F)cc3s2)cn1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is YSWRJLGGWBHTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-17-8-9(7-16-17)4-12(18)14-5-10-2-3-11(15)6-13(10)19-14/h2-3,5-8,12,18H,4H2,1H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol?
1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 276.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 115780349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).