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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Related Compounds

3-(4-Methanesulfonyl-phenyl)-2-phenyl-pyrazolo[1,5-b]pyridazine
CID 11725371
2-(3-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-pyrazolo[1,5-b]pyridazine
CID 44395179
2-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-pyrazolo[1,5-b]pyridazine
CID 44395210
3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490769
4-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-1-phenethyl-1H-pyrazole
CID 10273651
1,4-Dihydrothiochromeno[3,4-d]pyrazole 5,5-dioxide
CID 21854374
Pyrazole, 4-amino-5-(o-tolyl)-, p-toluenesulfonate
CID 24844194
3,5-dimethyl-4-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole
CID 70753911
(2E)-2-(4-Chlorobenzenesulfonyl)-3-(3-phenyl-1H-pyrazol-4-YL)prop-2-enenitrile
CID 6112316
5-[4-(benzenesulfonyl)phenyl]-1H-pyrazole
CID 2806203
4-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-5-trifluoromethyl-1H-pyrazole
CID 15380222
1-Allyl-4-(4-fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-1H-pyrazole
CID 44307569

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).