1-(4-fluorophenyl)-5-(2-methoxy-4-methylsulfonylphenyl)pyrazole

C17H15FN2O3S — CID 57259572

IUPAC1-(4-fluorophenyl)-5-(2-methoxy-4-methylsulfonylphenyl)pyrazole
SMILESCOc1cc(S(C)(=O)=O)ccc1-c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O3S/c1-23-17-11-14(24(2,21)22)7-8-15(17)16-9-10-19-20(16)13-5-3-12(18)4-6-13/h3-11H,1-2H3
InChIKeyGWZBXMGPEAYVNF-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.09
Rot. Bonds4

About 1-(4-fluorophenyl)-5-(2-methoxy-4-methylsulfonylphenyl)pyrazole

1-(4-fluorophenyl)-5-(2-methoxy-4-methylsulfonylphenyl)pyrazole (PubChem CID 57259572) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(2-methoxy-4-methylsulfonylphenyl)pyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(2-methoxy-4-methylsulfonylphenyl)pyrazole
PubChem CID57259572
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name1-(4-fluorophenyl)-5-(2-methoxy-4-methylsulfonylphenyl)pyrazole
SMILESCOc1cc(S(C)(=O)=O)ccc1-c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O3S/c1-23-17-11-14(24(2,21)22)7-8-15(17)16-9-10-19-20(16)13-5-3-12(18)4-6-13/h3-11H,1-2H3
InChIKeyGWZBXMGPEAYVNF-UHFFFAOYSA-N
XLogP3.09
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-5-(2-methoxy-4-methylsulfonylphenyl)pyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(2-methoxy-4-methylsulfonylphenyl)pyrazole?
The IUPAC name of 1-(4-fluorophenyl)-5-(2-methoxy-4-methylsulfonylphenyl)pyrazole (CID 57259572) is 1-(4-fluorophenyl)-5-(2-methoxy-4-methylsulfonylphenyl)pyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(2-methoxy-4-methylsulfonylphenyl)pyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-(2-methoxy-4-methylsulfonylphenyl)pyrazole is COc1cc(S(C)(=O)=O)ccc1-c1ccnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(2-methoxy-4-methylsulfonylphenyl)pyrazole?
The InChIKey is GWZBXMGPEAYVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-23-17-11-14(24(2,21)22)7-8-15(17)16-9-10-19-20(16)13-5-3-12(18)4-6-13/h3-11H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-5-(2-methoxy-4-methylsulfonylphenyl)pyrazole?
1-(4-fluorophenyl)-5-(2-methoxy-4-methylsulfonylphenyl)pyrazole has a molecular weight of 346.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(2-methoxy-4-methylsulfonylphenyl)pyrazole is sourced from PubChem (CID 57259572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).