5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid

C17H13FN2O4S — CID 10570495

IUPAC5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid
SMILESCS(=O)(=O)c1ccc(-n2nc(C(=O)O)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H13FN2O4S/c1-25(23,24)14-8-6-13(7-9-14)20-16(10-15(19-20)17(21)22)11-2-4-12(18)5-3-11/h2-10H,1H3,(H,21,22)
InChIKeyNGDMFVZTINMCKR-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.78
Rot. Bonds4

About 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid

5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid (PubChem CID 10570495) has the molecular formula C17H13FN2O4S and a molecular weight of 360.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid
PubChem CID10570495
Molecular FormulaC17H13FN2O4S
Molecular Weight360.37 g/mol
Exact Mass360.06
IUPAC Name5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid
SMILESCS(=O)(=O)c1ccc(-n2nc(C(=O)O)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H13FN2O4S/c1-25(23,24)14-8-6-13(7-9-14)20-16(10-15(19-20)17(21)22)11-2-4-12(18)5-3-11/h2-10H,1H3,(H,21,22)
InChIKeyNGDMFVZTINMCKR-UHFFFAOYSA-N
XLogP2.78
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-(4-(Aminosulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoic acid
CID 10047220
1,5-diphenyl-1H-pyrazole-3-carboxylic acid
CID 869152
1-(4-fluorophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 1477271
1-(3-Methylphenyl)-5-Phenyl-1h-Pyrazole-3-Carboxylic Acid
CID 869081
4-{5-(3-Tert-Butylphenyl)-1-[4-(Methylsulfonyl)phenyl]-1h-Pyrazol-3-Yl}benzoic Acid
CID 121225443
4-[1-(4-Methylsulfonylphenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrazol-3-yl]benzoic acid
CID 127052429
4-[5-(3,5-Di-tert-butylphenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]benzoic Acid
CID 90407674
methyl 5-(4-iodophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxylate
CID 53319031
ethyl 5-(4-iodophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxylate
CID 53320110
4-[5-(3-Tert-butyl-5-propan-2-ylphenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]benzoic acid
CID 127048322
4-[5-(3-Tert-butyl-5-methylphenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]benzoic acid
CID 127049314
Cox-2/5-lox-IN-2
CID 162667084

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid (CID 10570495) is 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid is CS(=O)(=O)c1ccc(-n2nc(C(=O)O)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid?
The InChIKey is NGDMFVZTINMCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4S/c1-25(23,24)14-8-6-13(7-9-14)20-16(10-15(19-20)17(21)22)11-2-4-12(18)5-3-11/h2-10H,1H3,(H,21,22).
What are the key properties of 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid?
5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid has a molecular weight of 360.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 10570495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).