1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanylethanol

C13H15FN2OS — CID 66073301

IUPAC1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanylethanol
SMILESCCn1nccc1C(O)CSc1cccc(F)c1
InChIInChI=1S/C13H15FN2OS/c1-2-16-12(6-7-15-16)13(17)9-18-11-5-3-4-10(14)8-11/h3-8,13,17H,2,9H2,1H3
InChIKeyLLGRNLBJFTYJEV-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.87
Rot. Bonds5

About 1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanylethanol

1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanylethanol (PubChem CID 66073301) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanylethanol
PubChem CID66073301
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanylethanol
SMILESCCn1nccc1C(O)CSc1cccc(F)c1
InChIInChI=1S/C13H15FN2OS/c1-2-16-12(6-7-15-16)13(17)9-18-11-5-3-4-10(14)8-11/h3-8,13,17H,2,9H2,1H3
InChIKeyLLGRNLBJFTYJEV-UHFFFAOYSA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanylethanol?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanylethanol (CID 66073301) is 1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanylethanol.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanylethanol?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanylethanol is CCn1nccc1C(O)CSc1cccc(F)c1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanylethanol?
The InChIKey is LLGRNLBJFTYJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-2-16-12(6-7-15-16)13(17)9-18-11-5-3-4-10(14)8-11/h3-8,13,17H,2,9H2,1H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanylethanol?
1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanylethanol has a molecular weight of 266.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanylethanol is sourced from PubChem (CID 66073301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).