1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol

C13H15FN2OS — CID 55238157

IUPAC1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol
SMILESCc1cc(Sc2ccc(F)cc2C(C)O)n(C)n1
InChIInChI=1S/C13H15FN2OS/c1-8-6-13(16(3)15-8)18-12-5-4-10(14)7-11(12)9(2)17/h4-7,9,17H,1-3H3
InChIKeyJBDSMTOIGZHQDU-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.07
Rot. Bonds3

About 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol

1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol (PubChem CID 55238157) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol
PubChem CID55238157
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol
SMILESCc1cc(Sc2ccc(F)cc2C(C)O)n(C)n1
InChIInChI=1S/C13H15FN2OS/c1-8-6-13(16(3)15-8)18-12-5-4-10(14)7-11(12)9(2)17/h4-7,9,17H,1-3H3
InChIKeyJBDSMTOIGZHQDU-UHFFFAOYSA-N
XLogP3.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol?
The IUPAC name of 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol (CID 55238157) is 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol is Cc1cc(Sc2ccc(F)cc2C(C)O)n(C)n1.
What is the InChIKey of 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol?
The InChIKey is JBDSMTOIGZHQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-8-6-13(16(3)15-8)18-12-5-4-10(14)7-11(12)9(2)17/h4-7,9,17H,1-3H3.
What are the key properties of 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol?
1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol has a molecular weight of 266.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol is sourced from PubChem (CID 55238157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).