1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol

C14H13FN2OS — CID 115828703

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(CC(O)c2cc3ccc(F)cc3s2)n1
InChIInChI=1S/C14H13FN2OS/c1-17-5-4-11(16-17)8-12(18)14-6-9-2-3-10(15)7-13(9)19-14/h2-7,12,18H,8H2,1H3
InChIKeyMVUXJEODTISRFF-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.05
Rot. Bonds3

About 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol

1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol (PubChem CID 115828703) 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-3-yl)ethanol.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
PubChem CID115828703
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(CC(O)c2cc3ccc(F)cc3s2)n1
InChIInChI=1S/C14H13FN2OS/c1-17-5-4-11(16-17)8-12(18)14-6-9-2-3-10(15)7-13(9)19-14/h2-7,12,18H,8H2,1H3
InChIKeyMVUXJEODTISRFF-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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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol (CID 115828703) is 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol is Cn1ccc(CC(O)c2cc3ccc(F)cc3s2)n1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The InChIKey is MVUXJEODTISRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-17-5-4-11(16-17)8-12(18)14-6-9-2-3-10(15)7-13(9)19-14/h2-7,12,18H,8H2,1H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-3-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-3-yl)ethanol is sourced from PubChem (CID 115828703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).