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

C12H13FN2OS — CID 66052682

IUPAC2-(2-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(O)CSc1ccccc1F
InChIInChI=1S/C12H13FN2OS/c1-15-10(6-7-14-15)11(16)8-17-12-5-3-2-4-9(12)13/h2-7,11,16H,8H2,1H3
InChIKeyHONRGHIGLNGKDB-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.38
Rot. Bonds4

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

2-(2-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol (PubChem CID 66052682) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol
PubChem CID66052682
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name2-(2-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(O)CSc1ccccc1F
InChIInChI=1S/C12H13FN2OS/c1-15-10(6-7-14-15)11(16)8-17-12-5-3-2-4-9(12)13/h2-7,11,16H,8H2,1H3
InChIKeyHONRGHIGLNGKDB-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

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Related Compounds

2,2,2-trifluoro-N-[2-[4-(4-fluorophenyl)sulfanyl-3-(hydroxymethyl)-5-methylpyrazol-1-yl]ethyl]ethanimidate
CID 60012221
[1-(2-Aminoethyl)-4-(4-fluorophenyl)sulfanyl-3-methylpyrazol-5-yl]methanol
CID 60012300
[4-(4-Fluorophenyl)sulfanyl-5-methyl-1-propylpyrazol-3-yl]methanol
CID 69773953
1-[1-(4-Fluorophenyl)pyrazol-3-yl]ethanol
CID 167039828
(2-Methylpyrazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 63963695
(2-Propylpyrazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 63975894
(2-Ethylpyrazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 63976108
1-(2-Fluorophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
CID 66051329
1-(2-Ethylpyrazol-3-yl)-2-(2-fluorophenyl)sulfanylethanol
CID 66051899
1-(2-Ethyl-5-methylpyrazol-3-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66052091
2-(2-Fluorophenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanol
CID 66053062
1-(1-Butan-2-ylpyrazol-3-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66053449

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol (CID 66052682) is 2-(2-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol is Cn1nccc1C(O)CSc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol?
The InChIKey is HONRGHIGLNGKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-15-10(6-7-14-15)11(16)8-17-12-5-3-2-4-9(12)13/h2-7,11,16H,8H2,1H3.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol?
2-(2-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-(2-fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 66052682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).