[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol

C17H15FN2O3S — CID 22014676

IUPAC[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cc(CO)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN2O3S/c1-24(22,23)16-8-2-12(3-9-16)17-10-14(11-21)19-20(17)15-6-4-13(18)5-7-15/h2-10,21H,11H2,1H3
InChIKeyRVTUNNNBBXLZDV-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.57
Rot. Bonds4

About [1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol

[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol (PubChem CID 22014676) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
PubChem CID22014676
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cc(CO)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN2O3S/c1-24(22,23)16-8-2-12(3-9-16)17-10-14(11-21)19-20(17)15-6-4-13(18)5-7-15/h2-10,21H,11H2,1H3
InChIKeyRVTUNNNBBXLZDV-UHFFFAOYSA-N
XLogP2.57
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The IUPAC name of [1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol (CID 22014676) is [1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The canonical SMILES for [1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol is CS(=O)(=O)c1ccc(-c2cc(CO)nn2-c2ccc(F)cc2)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The InChIKey is RVTUNNNBBXLZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-24(22,23)16-8-2-12(3-9-16)17-10-14(11-21)19-20(17)15-6-4-13(18)5-7-15/h2-10,21H,11H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol has a molecular weight of 346.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 22014676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).