2-(3-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol

C12H13FN2OS — CID 66072273

IUPAC2-(3-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(O)CSc1cccc(F)c1
InChIInChI=1S/C12H13FN2OS/c1-15-11(5-6-14-15)12(16)8-17-10-4-2-3-9(13)7-10/h2-7,12,16H,8H2,1H3
InChIKeyJQZGJKLMROEBTK-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.38
Rot. Bonds4

About 2-(3-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol

2-(3-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol (PubChem CID 66072273) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol
PubChem CID66072273
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name2-(3-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(O)CSc1cccc(F)c1
InChIInChI=1S/C12H13FN2OS/c1-15-11(5-6-14-15)12(16)8-17-10-4-2-3-9(13)7-10/h2-7,12,16H,8H2,1H3
InChIKeyJQZGJKLMROEBTK-UHFFFAOYSA-N
XLogP2.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol (CID 66072273) is 2-(3-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol is Cn1nccc1C(O)CSc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol?
The InChIKey is JQZGJKLMROEBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-15-11(5-6-14-15)12(16)8-17-10-4-2-3-9(13)7-10/h2-7,12,16H,8H2,1H3.
What are the key properties of 2-(3-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol?
2-(3-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol has a molecular weight of 252.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 66072273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).