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

C13H11FN2OS — CID 114981741

IUPAC(6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2cc3ccc(F)cc3s2)cn1
InChIInChI=1S/C13H11FN2OS/c1-16-7-9(6-15-16)13(17)12-4-8-2-3-10(14)5-11(8)18-12/h2-7,13,17H,1H3
InChIKeyLVOHRAQSQRIIJI-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.86
Rot. Bonds2

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

(6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol (PubChem CID 114981741) has the molecular formula C13H11FN2OS and a molecular weight of 262.31 g/mol. Its IUPAC name is (6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
PubChem CID114981741
Molecular FormulaC13H11FN2OS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC Name(6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2cc3ccc(F)cc3s2)cn1
InChIInChI=1S/C13H11FN2OS/c1-16-7-9(6-15-16)13(17)12-4-8-2-3-10(14)5-11(8)18-12/h2-7,13,17H,1H3
InChIKeyLVOHRAQSQRIIJI-UHFFFAOYSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of (6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol (CID 114981741) is (6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)c2cc3ccc(F)cc3s2)cn1.
What is the InChIKey of (6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol?
The InChIKey is LVOHRAQSQRIIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2OS/c1-16-7-9(6-15-16)13(17)12-4-8-2-3-10(14)5-11(8)18-12/h2-7,13,17H,1H3.
What are the key properties of (6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol?
(6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol has a molecular weight of 262.31 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 114981741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).