2-[2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethyl]pyridine

C23H20FN3O2S — CID 19355915

IUPAC2-[2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethyl]pyridine
SMILESCS(=O)(=O)c1ccc(-c2nn(CCc3ccccn3)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H20FN3O2S/c1-30(28,29)21-11-7-18(8-12-21)23-22(17-5-9-19(24)10-6-17)16-27(26-23)15-13-20-4-2-3-14-25-20/h2-12,14,16H,13,15H2,1H3
InChIKeySSQIRWJSRMMNIF-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.40
Rot. Bonds6

About 2-[2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethyl]pyridine

2-[2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethyl]pyridine (PubChem CID 19355915) has the molecular formula C23H20FN3O2S and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethyl]pyridine
PubChem CID19355915
Molecular FormulaC23H20FN3O2S
Molecular Weight421.50 g/mol
Exact Mass421.13
IUPAC Name2-[2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethyl]pyridine
SMILESCS(=O)(=O)c1ccc(-c2nn(CCc3ccccn3)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H20FN3O2S/c1-30(28,29)21-11-7-18(8-12-21)23-22(17-5-9-19(24)10-6-17)16-27(26-23)15-13-20-4-2-3-14-25-20/h2-12,14,16H,13,15H2,1H3
InChIKeySSQIRWJSRMMNIF-UHFFFAOYSA-N
XLogP4.40
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethyl]pyridine?
The IUPAC name of 2-[2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethyl]pyridine (CID 19355915) is 2-[2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethyl]pyridine.
What is the SMILES notation for 2-[2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethyl]pyridine?
The canonical SMILES for 2-[2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethyl]pyridine is CS(=O)(=O)c1ccc(-c2nn(CCc3ccccn3)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethyl]pyridine?
The InChIKey is SSQIRWJSRMMNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2S/c1-30(28,29)21-11-7-18(8-12-21)23-22(17-5-9-19(24)10-6-17)16-27(26-23)15-13-20-4-2-3-14-25-20/h2-12,14,16H,13,15H2,1H3.
What are the key properties of 2-[2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethyl]pyridine?
2-[2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethyl]pyridine has a molecular weight of 421.50 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethyl]pyridine is sourced from PubChem (CID 19355915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).