2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-phenylacetamide

C24H20FN3O3S — CID 18914457

IUPAC2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-phenylacetamide
SMILESCS(=O)(=O)c1ccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H20FN3O3S/c1-32(30,31)21-13-9-18(10-14-21)24-22(17-7-11-19(25)12-8-17)15-28(27-24)16-23(29)26-20-5-3-2-4-6-20/h2-15H,16H2,1H3,(H,26,29)
InChIKeyCJOSVQFNJOIPSS-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.40
Rot. Bonds6

About 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-phenylacetamide

2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-phenylacetamide (PubChem CID 18914457) has the molecular formula C24H20FN3O3S and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-phenylacetamide
PubChem CID18914457
Molecular FormulaC24H20FN3O3S
Molecular Weight449.51 g/mol
Exact Mass449.12
IUPAC Name2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-phenylacetamide
SMILESCS(=O)(=O)c1ccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H20FN3O3S/c1-32(30,31)21-13-9-18(10-14-21)24-22(17-7-11-19(25)12-8-17)15-28(27-24)16-23(29)26-20-5-3-2-4-6-20/h2-15H,16H2,1H3,(H,26,29)
InChIKeyCJOSVQFNJOIPSS-UHFFFAOYSA-N
XLogP4.40
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-phenylacetamide (CID 18914457) is 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-phenylacetamide is CS(=O)(=O)c1ccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-phenylacetamide?
The InChIKey is CJOSVQFNJOIPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S/c1-32(30,31)21-13-9-18(10-14-21)24-22(17-7-11-19(25)12-8-17)15-28(27-24)16-23(29)26-20-5-3-2-4-6-20/h2-15H,16H2,1H3,(H,26,29).
What are the key properties of 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-phenylacetamide?
2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-phenylacetamide has a molecular weight of 449.51 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 18914457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).