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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one
CID 10224932
2-[3-(4-methylsulfonylphenyl)-4-phenylpyrazol-1-yl]acetic acid
CID 18914548
[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] acetate
CID 67644928
1-methyl-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)pyrazole
CID 19355257
2-[3-(4-fluorophenyl)-1-prop-2-ynylpyrazol-4-yl]pyridine
CID 23068541
N,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoro-3-pyridinyl)pyrazol-1-yl]ethanamine
CID 70209652
N-[3-[4-[3-(4-fluorophenyl)-1-propylpyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide
CID 90465241
4-[4-(4-fluorophenyl)-1-[2-(1H-pyrrolizin-1-yl)ethyl]pyrazol-3-yl]benzenesulfonamide
CID 139760681
5-(4-fluorophenyl)-1-methyl-7-(4-methylsulfonylphenyl)-3-propylpyrazolo[4,5-d]pyrimidine
CID 11517462
2-(cyclopropylmethyl)-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one
CID 18369409
2-chloro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;8-(4-methylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 162098648
2-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one
CID 142646708

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).