4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole

C17H12F4N2O2S — CID 15380222

IUPAC4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCS(=O)(=O)c1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H12F4N2O2S/c1-26(24,25)13-8-4-11(5-9-13)15-14(10-2-6-12(18)7-3-10)16(23-22-15)17(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyYCCBRJMWVFPZEV-UHFFFAOYSA-N
MW384.35 g/mol
LogP4.31
Rot. Bonds3

About 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole

4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 15380222) has the molecular formula C17H12F4N2O2S and a molecular weight of 384.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID15380222
Molecular FormulaC17H12F4N2O2S
Molecular Weight384.35 g/mol
Exact Mass384.06
IUPAC Name4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCS(=O)(=O)c1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H12F4N2O2S/c1-26(24,25)13-8-4-11(5-9-13)15-14(10-2-6-12(18)7-3-10)16(23-22-15)17(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyYCCBRJMWVFPZEV-UHFFFAOYSA-N
XLogP4.31
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethyl-4-(4-fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-5-trifluoromethyl-1H-pyrazole
CID 9844547
1-Allyl-4-(4-fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-5-trifluoromethyl-1H-pyrazole
CID 9954100
3-(4-Fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-methylsulfanylpyrazole
CID 2808054
3-(4-Fluorophenyl)-5-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrazole
CID 2808277
3,5-dimethyl-4-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole
CID 70753911
4-[5-(2'-Methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl] benzenesulfonamide
CID 23209725
4-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-1H-pyrazole
CID 15380227
3-(4-Fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrazole
CID 16080432
5-(1,1,2,2,3,3-Hexafluoropropyl)-4-(p-tolylsulfonyl)-1h-pyrazole
CID 129795002
3-Methyl-1-(4-methylphenyl)sulfonyl-5-phenyl-4-(trifluoromethylsulfonyl)pyrazole
CID 162412604
4-{(e)-[4-(Methylsulfonyl)phenyl]diazenyl}-5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazole
CID 166637526
4-(4-methylphenyl)sulfanyl-3-methylsulfanyl-5-phenyl-1H-pyrazole
CID 13724901

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole (CID 15380222) is 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole is CS(=O)(=O)c1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is YCCBRJMWVFPZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O2S/c1-26(24,25)13-8-4-11(5-9-13)15-14(10-2-6-12(18)7-3-10)16(23-22-15)17(19,20)21/h2-9H,1H3,(H,22,23).
What are the key properties of 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole?
4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 384.35 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 15380222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).