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

C14H17FN2OS — CID 66072062

IUPAC2-(3-fluorophenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanol
SMILESCCCn1nccc1C(O)CSc1cccc(F)c1
InChIInChI=1S/C14H17FN2OS/c1-2-8-17-13(6-7-16-17)14(18)10-19-12-5-3-4-11(15)9-12/h3-7,9,14,18H,2,8,10H2,1H3
InChIKeyDIHRYLFVLLOGTJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.26
Rot. Bonds6

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

2-(3-fluorophenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanol (PubChem CID 66072062) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanol
PubChem CID66072062
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name2-(3-fluorophenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanol
SMILESCCCn1nccc1C(O)CSc1cccc(F)c1
InChIInChI=1S/C14H17FN2OS/c1-2-8-17-13(6-7-16-17)14(18)10-19-12-5-3-4-11(15)9-12/h3-7,9,14,18H,2,8,10H2,1H3
InChIKeyDIHRYLFVLLOGTJ-UHFFFAOYSA-N
XLogP3.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanol (CID 66072062) is 2-(3-fluorophenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanol is CCCn1nccc1C(O)CSc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanol?
The InChIKey is DIHRYLFVLLOGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-2-8-17-13(6-7-16-17)14(18)10-19-12-5-3-4-11(15)9-12/h3-7,9,14,18H,2,8,10H2,1H3.
What are the key properties of 2-(3-fluorophenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanol?
2-(3-fluorophenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanol has a molecular weight of 280.37 g/mol, XLogP of 3.26, 6 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-propylpyrazol-3-yl)ethanol is sourced from PubChem (CID 66072062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).