[5-(4-fluorophenyl)sulfonyl-1-(2-fluoro-3-pyridinyl)pyrazol-3-yl]methanol

C15H11F2N3O3S — CID 66697772

IUPAC[5-(4-fluorophenyl)sulfonyl-1-(2-fluoro-3-pyridinyl)pyrazol-3-yl]methanol
SMILESO=S(=O)(c1ccc(F)cc1)c1cc(CO)nn1-c1cccnc1F
InChIInChI=1S/C15H11F2N3O3S/c16-10-3-5-12(6-4-10)24(22,23)14-8-11(9-21)19-20(14)13-2-1-7-18-15(13)17/h1-8,21H,9H2
InChIKeyXAVBZIHEDLTSOE-UHFFFAOYSA-N
MW351.33 g/mol
LogP1.87
Rot. Bonds4

About [5-(4-fluorophenyl)sulfonyl-1-(2-fluoro-3-pyridinyl)pyrazol-3-yl]methanol

[5-(4-fluorophenyl)sulfonyl-1-(2-fluoro-3-pyridinyl)pyrazol-3-yl]methanol (PubChem CID 66697772) has the molecular formula C15H11F2N3O3S and a molecular weight of 351.33 g/mol. Its IUPAC name is [5-(4-fluorophenyl)sulfonyl-1-(2-fluoro-3-pyridinyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-fluorophenyl)sulfonyl-1-(2-fluoro-3-pyridinyl)pyrazol-3-yl]methanol
PubChem CID66697772
Molecular FormulaC15H11F2N3O3S
Molecular Weight351.33 g/mol
Exact Mass351.05
IUPAC Name[5-(4-fluorophenyl)sulfonyl-1-(2-fluoro-3-pyridinyl)pyrazol-3-yl]methanol
SMILESO=S(=O)(c1ccc(F)cc1)c1cc(CO)nn1-c1cccnc1F
InChIInChI=1S/C15H11F2N3O3S/c16-10-3-5-12(6-4-10)24(22,23)14-8-11(9-21)19-20(14)13-2-1-7-18-15(13)17/h1-8,21H,9H2
InChIKeyXAVBZIHEDLTSOE-UHFFFAOYSA-N
XLogP1.87
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)sulfonyl-1-(2-fluoro-3-pyridinyl)pyrazol-3-yl]methanol?
The IUPAC name of [5-(4-fluorophenyl)sulfonyl-1-(2-fluoro-3-pyridinyl)pyrazol-3-yl]methanol (CID 66697772) is [5-(4-fluorophenyl)sulfonyl-1-(2-fluoro-3-pyridinyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [5-(4-fluorophenyl)sulfonyl-1-(2-fluoro-3-pyridinyl)pyrazol-3-yl]methanol?
The canonical SMILES for [5-(4-fluorophenyl)sulfonyl-1-(2-fluoro-3-pyridinyl)pyrazol-3-yl]methanol is O=S(=O)(c1ccc(F)cc1)c1cc(CO)nn1-c1cccnc1F.
What is the InChIKey of [5-(4-fluorophenyl)sulfonyl-1-(2-fluoro-3-pyridinyl)pyrazol-3-yl]methanol?
The InChIKey is XAVBZIHEDLTSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3S/c16-10-3-5-12(6-4-10)24(22,23)14-8-11(9-21)19-20(14)13-2-1-7-18-15(13)17/h1-8,21H,9H2.
What are the key properties of [5-(4-fluorophenyl)sulfonyl-1-(2-fluoro-3-pyridinyl)pyrazol-3-yl]methanol?
[5-(4-fluorophenyl)sulfonyl-1-(2-fluoro-3-pyridinyl)pyrazol-3-yl]methanol has a molecular weight of 351.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)sulfonyl-1-(2-fluoro-3-pyridinyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 66697772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).