1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfinylphenyl)pyrazole

C17H15FN2OS — CID 10470898

IUPAC1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfinylphenyl)pyrazole
SMILESCc1cc(-c2ccc(S(C)=O)cc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H15FN2OS/c1-12-11-17(13-3-9-16(10-4-13)22(2)21)20(19-12)15-7-5-14(18)6-8-15/h3-11H,1-2H3
InChIKeyYAADREYMKVLDMH-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.72
Rot. Bonds3

About 1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfinylphenyl)pyrazole

1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfinylphenyl)pyrazole (PubChem CID 10470898) has the molecular formula C17H15FN2OS and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfinylphenyl)pyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfinylphenyl)pyrazole
PubChem CID10470898
Molecular FormulaC17H15FN2OS
Molecular Weight314.39 g/mol
Exact Mass314.09
IUPAC Name1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfinylphenyl)pyrazole
SMILESCc1cc(-c2ccc(S(C)=O)cc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H15FN2OS/c1-12-11-17(13-3-9-16(10-4-13)22(2)21)20(19-12)15-7-5-14(18)6-8-15/h3-11H,1-2H3
InChIKeyYAADREYMKVLDMH-UHFFFAOYSA-N
XLogP3.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfinylphenyl)pyrazole?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfinylphenyl)pyrazole (CID 10470898) is 1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfinylphenyl)pyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfinylphenyl)pyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfinylphenyl)pyrazole is Cc1cc(-c2ccc(S(C)=O)cc2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfinylphenyl)pyrazole?
The InChIKey is YAADREYMKVLDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS/c1-12-11-17(13-3-9-16(10-4-13)22(2)21)20(19-12)15-7-5-14(18)6-8-15/h3-11H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfinylphenyl)pyrazole?
1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfinylphenyl)pyrazole has a molecular weight of 314.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfinylphenyl)pyrazole is sourced from PubChem (CID 10470898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).