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

C13H15FN2OS — CID 55240831

IUPAC(1S)-1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol
SMILESCc1cc(Sc2ccc(F)cc2[C@H](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/t9-/m0/s1
InChIKeyJBDSMTOIGZHQDU-VIFPVBQESA-N
MW266.34 g/mol
LogP3.07
Rot. Bonds3

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

(1S)-1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol (PubChem CID 55240831) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is (1S)-1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol
PubChem CID55240831
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name(1S)-1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol
SMILESCc1cc(Sc2ccc(F)cc2[C@H](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/t9-/m0/s1
InChIKeyJBDSMTOIGZHQDU-VIFPVBQESA-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

Analyze (1S)-1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]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 (1S)-1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol (CID 55240831) is (1S)-1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol is Cc1cc(Sc2ccc(F)cc2[C@H](C)O)n(C)n1.
What is the InChIKey of (1S)-1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol?
The InChIKey is JBDSMTOIGZHQDU-VIFPVBQESA-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/t9-/m0/s1.
What are the key properties of (1S)-1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol?
(1S)-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 (1S)-1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]ethanol is sourced from PubChem (CID 55240831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).