4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole

C16H13FN2O2S — CID 15380227

IUPAC4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole
SMILESCS(=O)(=O)c1ccc(-c2[nH]ncc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H13FN2O2S/c1-22(20,21)14-8-4-12(5-9-14)16-15(10-18-19-16)11-2-6-13(17)7-3-11/h2-10H,1H3,(H,18,19)
InChIKeyKHTNQBAMMAFKQW-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.29
Rot. Bonds3

About 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole

4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole (PubChem CID 15380227) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole
PubChem CID15380227
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole
SMILESCS(=O)(=O)c1ccc(-c2[nH]ncc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H13FN2O2S/c1-22(20,21)14-8-4-12(5-9-14)16-15(10-18-19-16)11-2-6-13(17)7-3-11/h2-10H,1H3,(H,18,19)
InChIKeyKHTNQBAMMAFKQW-UHFFFAOYSA-N
XLogP3.29
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole (CID 15380227) is 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole is CS(=O)(=O)c1ccc(-c2[nH]ncc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole?
The InChIKey is KHTNQBAMMAFKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-22(20,21)14-8-4-12(5-9-14)16-15(10-18-19-16)11-2-6-13(17)7-3-11/h2-10H,1H3,(H,18,19).
What are the key properties of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole?
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole has a molecular weight of 316.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazole is sourced from PubChem (CID 15380227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).