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

C17H16N2O3S — CID 22014688

IUPAC[5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cc(CO)nn2-c2ccccc2)cc1
InChIInChI=1S/C17H16N2O3S/c1-23(21,22)16-9-7-13(8-10-16)17-11-14(12-20)18-19(17)15-5-3-2-4-6-15/h2-11,20H,12H2,1H3
InChIKeyYGWPANPPKHAFBH-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.44
Rot. Bonds4

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

[5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol (PubChem CID 22014688) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is [5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol
PubChem CID22014688
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name[5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cc(CO)nn2-c2ccccc2)cc1
InChIInChI=1S/C17H16N2O3S/c1-23(21,22)16-9-7-13(8-10-16)17-11-14(12-20)18-19(17)15-5-3-2-4-6-15/h2-11,20H,12H2,1H3
InChIKeyYGWPANPPKHAFBH-UHFFFAOYSA-N
XLogP2.44
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol?
The IUPAC name of [5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol (CID 22014688) is [5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol.
What is the SMILES notation for [5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol?
The canonical SMILES for [5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol is CS(=O)(=O)c1ccc(-c2cc(CO)nn2-c2ccccc2)cc1.
What is the InChIKey of [5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol?
The InChIKey is YGWPANPPKHAFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-23(21,22)16-9-7-13(8-10-16)17-11-14(12-20)18-19(17)15-5-3-2-4-6-15/h2-11,20H,12H2,1H3.
What are the key properties of [5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol?
[5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol has a molecular weight of 328.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol is sourced from PubChem (CID 22014688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).