[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol

C11H11FN2OS — CID 63835709

IUPAC[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol
SMILESCn1cc(Sc2ccc(F)cc2CO)cn1
InChIInChI=1S/C11H11FN2OS/c1-14-6-10(5-13-14)16-11-3-2-9(12)4-8(11)7-15/h2-6,15H,7H2,1H3
InChIKeyYZSHJUXBKJZHMU-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.20
Rot. Bonds3

About [5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol

[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol (PubChem CID 63835709) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is [5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol
PubChem CID63835709
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol
SMILESCn1cc(Sc2ccc(F)cc2CO)cn1
InChIInChI=1S/C11H11FN2OS/c1-14-6-10(5-13-14)16-11-3-2-9(12)4-8(11)7-15/h2-6,15H,7H2,1H3
InChIKeyYZSHJUXBKJZHMU-UHFFFAOYSA-N
XLogP2.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol?
The IUPAC name of [5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol (CID 63835709) is [5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol.
What is the SMILES notation for [5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol?
The canonical SMILES for [5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol is Cn1cc(Sc2ccc(F)cc2CO)cn1.
What is the InChIKey of [5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol?
The InChIKey is YZSHJUXBKJZHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-14-6-10(5-13-14)16-11-3-2-9(12)4-8(11)7-15/h2-6,15H,7H2,1H3.
What are the key properties of [5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol?
[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol has a molecular weight of 238.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol is sourced from PubChem (CID 63835709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).