1-(2-fluorophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol

C15H19FN2OS — CID 66051329

IUPAC1-(2-fluorophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
SMILESCC(C)n1ccc(CC(O)CSc2ccccc2F)n1
InChIInChI=1S/C15H19FN2OS/c1-11(2)18-8-7-12(17-18)9-13(19)10-20-15-6-4-3-5-14(15)16/h3-8,11,13,19H,9-10H2,1-2H3
InChIKeyAYSCRHZLGGRNBG-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.30
Rot. Bonds6

About 1-(2-fluorophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol

1-(2-fluorophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol (PubChem CID 66051329) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
PubChem CID66051329
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC Name1-(2-fluorophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
SMILESCC(C)n1ccc(CC(O)CSc2ccccc2F)n1
InChIInChI=1S/C15H19FN2OS/c1-11(2)18-8-7-12(17-18)9-13(19)10-20-15-6-4-3-5-14(15)16/h3-8,11,13,19H,9-10H2,1-2H3
InChIKeyAYSCRHZLGGRNBG-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol (CID 66051329) is 1-(2-fluorophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol is CC(C)n1ccc(CC(O)CSc2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol?
The InChIKey is AYSCRHZLGGRNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-11(2)18-8-7-12(17-18)9-13(19)10-20-15-6-4-3-5-14(15)16/h3-8,11,13,19H,9-10H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol?
1-(2-fluorophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol has a molecular weight of 294.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 66051329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).