4-fluoro-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenol

C12H13FN2O3S — CID 172879559

IUPAC4-fluoro-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenol
SMILESCC(C)S(=O)(=O)n1cc(-c2cc(F)ccc2O)cn1
InChIInChI=1S/C12H13FN2O3S/c1-8(2)19(17,18)15-7-9(6-14-15)11-5-10(13)3-4-12(11)16/h3-8,16H,1-2H3
InChIKeyYKABROXZAXMEPP-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.98
Rot. Bonds3

About 4-fluoro-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenol

4-fluoro-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenol (PubChem CID 172879559) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-fluoro-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenol
PubChem CID172879559
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name4-fluoro-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenol
SMILESCC(C)S(=O)(=O)n1cc(-c2cc(F)ccc2O)cn1
InChIInChI=1S/C12H13FN2O3S/c1-8(2)19(17,18)15-7-9(6-14-15)11-5-10(13)3-4-12(11)16/h3-8,16H,1-2H3
InChIKeyYKABROXZAXMEPP-UHFFFAOYSA-N
XLogP1.98
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenol?
The IUPAC name of 4-fluoro-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenol (CID 172879559) is 4-fluoro-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenol.
What is the SMILES notation for 4-fluoro-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenol?
The canonical SMILES for 4-fluoro-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenol is CC(C)S(=O)(=O)n1cc(-c2cc(F)ccc2O)cn1.
What is the InChIKey of 4-fluoro-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenol?
The InChIKey is YKABROXZAXMEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-8(2)19(17,18)15-7-9(6-14-15)11-5-10(13)3-4-12(11)16/h3-8,16H,1-2H3.
What are the key properties of 4-fluoro-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenol?
4-fluoro-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenol has a molecular weight of 284.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenol is sourced from PubChem (CID 172879559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).