4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one

C17H15FN2O3S — CID 18409503

IUPAC4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one
SMILESCn1[nH]c(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H15FN2O3S/c1-20-17(21)15(11-3-7-13(18)8-4-11)16(19-20)12-5-9-14(10-6-12)24(2,22)23/h3-10,19H,1-2H3
InChIKeyWIZPYBFIUBRUMX-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.59
Rot. Bonds3

About 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one

4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one (PubChem CID 18409503) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one
PubChem CID18409503
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one
SMILESCn1[nH]c(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H15FN2O3S/c1-20-17(21)15(11-3-7-13(18)8-4-11)16(19-20)12-5-9-14(10-6-12)24(2,22)23/h3-10,19H,1-2H3
InChIKeyWIZPYBFIUBRUMX-UHFFFAOYSA-N
XLogP2.59
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(4-methylthiophenyl)methyl]-3-(trifluoromethyl)-2H-pyrazol-5-one
CID 10518446
4-[(4-Methylsulfonylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
CID 10519715
2-benzyl-4-[(4-methylsulfanylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 10738415
5-(4-(Aminosulphonyl)phenyl)-4-(4-fluorophenyl)-3-hydroxypyrazole
CID 11232863
4-(4-Fluorophenyl)-3-hydroxy-5-(4-(methylsulphonyl)phenyl)pyrazole
CID 11256025
5-(4-Fluorophenyl)-4-(4-methylsulfanylphenyl)-1,2-dihydropyrazol-3-one
CID 11220316
4-(4-Fluorophenyl)-5-(4-(methylthio)phenyl)-1H-pyrazol-3-ol
CID 11392419
4-(4-fluorophenyl)-2-methyl-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-one
CID 18409446
5-(4-Fluorophenyl)-4-(4-methylsulfonylphenyl)-1,2-dihydropyrazol-3-one
CID 18409479
2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-one
CID 18409495
4-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl)-1,2-bis(prop-2-enyl)pyrazol-3-one
CID 18409513
2-methyl-4-(4-methylsulfanylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-one
CID 19782079

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one (CID 18409503) is 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one is Cn1[nH]c(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one?
The InChIKey is WIZPYBFIUBRUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-20-17(21)15(11-3-7-13(18)8-4-11)16(19-20)12-5-9-14(10-6-12)24(2,22)23/h3-10,19H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one?
4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one has a molecular weight of 346.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 18409503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).