4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole

C24H21FN2O2S — CID 10273651

IUPAC4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole
SMILESCS(=O)(=O)c1ccc(-c2nn(CCc3ccccc3)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H21FN2O2S/c1-30(28,29)22-13-9-20(10-14-22)24-23(19-7-11-21(25)12-8-19)17-27(26-24)16-15-18-5-3-2-4-6-18/h2-14,17H,15-16H2,1H3
InChIKeyYTLPYUWXEWWKRU-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.00
Rot. Bonds6

About 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole

4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole (PubChem CID 10273651) has the molecular formula C24H21FN2O2S and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole
PubChem CID10273651
Molecular FormulaC24H21FN2O2S
Molecular Weight420.51 g/mol
Exact Mass420.13
IUPAC Name4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole
SMILESCS(=O)(=O)c1ccc(-c2nn(CCc3ccccc3)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H21FN2O2S/c1-30(28,29)22-13-9-20(10-14-22)24-23(19-7-11-21(25)12-8-19)17-27(26-24)16-15-18-5-3-2-4-6-18/h2-14,17H,15-16H2,1H3
InChIKeyYTLPYUWXEWWKRU-UHFFFAOYSA-N
XLogP5.00
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole?
The IUPAC name of 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole (CID 10273651) is 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole.
What is the SMILES notation for 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole?
The canonical SMILES for 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole is CS(=O)(=O)c1ccc(-c2nn(CCc3ccccc3)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole?
The InChIKey is YTLPYUWXEWWKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2S/c1-30(28,29)22-13-9-20(10-14-22)24-23(19-7-11-21(25)12-8-19)17-27(26-24)16-15-18-5-3-2-4-6-18/h2-14,17H,15-16H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole?
4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole has a molecular weight of 420.51 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole is sourced from PubChem (CID 10273651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).