(2S)-2-(4-benzylsulfanylpyrazol-1-yl)-3-fluoropropan-1-ol

C13H15FN2OS — CID 155193261

IUPAC(2S)-2-(4-benzylsulfanylpyrazol-1-yl)-3-fluoropropan-1-ol
SMILESOC[C@@H](CF)n1cc(SCc2ccccc2)cn1
InChIInChI=1S/C13H15FN2OS/c14-6-12(9-17)16-8-13(7-15-16)18-10-11-4-2-1-3-5-11/h1-5,7-8,12,17H,6,9-10H2/t12-/m1/s1
InChIKeyUZABAZQHHXAAOO-GFCCVEGCSA-N
MW266.34 g/mol
LogP2.68
Rot. Bonds6

About (2S)-2-(4-benzylsulfanylpyrazol-1-yl)-3-fluoropropan-1-ol

(2S)-2-(4-benzylsulfanylpyrazol-1-yl)-3-fluoropropan-1-ol (PubChem CID 155193261) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-(4-benzylsulfanylpyrazol-1-yl)-3-fluoropropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(4-benzylsulfanylpyrazol-1-yl)-3-fluoropropan-1-ol
PubChem CID155193261
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name(2S)-2-(4-benzylsulfanylpyrazol-1-yl)-3-fluoropropan-1-ol
SMILESOC[C@@H](CF)n1cc(SCc2ccccc2)cn1
InChIInChI=1S/C13H15FN2OS/c14-6-12(9-17)16-8-13(7-15-16)18-10-11-4-2-1-3-5-11/h1-5,7-8,12,17H,6,9-10H2/t12-/m1/s1
InChIKeyUZABAZQHHXAAOO-GFCCVEGCSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(4-benzylsulfanylpyrazol-1-yl)-3-fluoropropan-1-ol 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 (2S)-2-(4-benzylsulfanylpyrazol-1-yl)-3-fluoropropan-1-ol?
The IUPAC name of (2S)-2-(4-benzylsulfanylpyrazol-1-yl)-3-fluoropropan-1-ol (CID 155193261) is (2S)-2-(4-benzylsulfanylpyrazol-1-yl)-3-fluoropropan-1-ol.
What is the SMILES notation for (2S)-2-(4-benzylsulfanylpyrazol-1-yl)-3-fluoropropan-1-ol?
The canonical SMILES for (2S)-2-(4-benzylsulfanylpyrazol-1-yl)-3-fluoropropan-1-ol is OC[C@@H](CF)n1cc(SCc2ccccc2)cn1.
What is the InChIKey of (2S)-2-(4-benzylsulfanylpyrazol-1-yl)-3-fluoropropan-1-ol?
The InChIKey is UZABAZQHHXAAOO-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15FN2OS/c14-6-12(9-17)16-8-13(7-15-16)18-10-11-4-2-1-3-5-11/h1-5,7-8,12,17H,6,9-10H2/t12-/m1/s1.
What are the key properties of (2S)-2-(4-benzylsulfanylpyrazol-1-yl)-3-fluoropropan-1-ol?
(2S)-2-(4-benzylsulfanylpyrazol-1-yl)-3-fluoropropan-1-ol has a molecular weight of 266.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-benzylsulfanylpyrazol-1-yl)-3-fluoropropan-1-ol is sourced from PubChem (CID 155193261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).