2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetic acid

C17H14FN3O4S — CID 18914553

IUPAC2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetic acid
SMILESNS(=O)(=O)c1ccc(-c2nn(CC(=O)O)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FN3O4S/c18-13-5-1-11(2-6-13)15-9-21(10-16(22)23)20-17(15)12-3-7-14(8-4-12)26(19,24)25/h1-9H,10H2,(H,22,23)(H2,19,24,25)
InChIKeyYPMWTUQYYRTAJE-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.09
Rot. Bonds5

About 2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetic acid

2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetic acid (PubChem CID 18914553) has the molecular formula C17H14FN3O4S and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetic acid
PubChem CID18914553
Molecular FormulaC17H14FN3O4S
Molecular Weight375.38 g/mol
Exact Mass375.07
IUPAC Name2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetic acid
SMILESNS(=O)(=O)c1ccc(-c2nn(CC(=O)O)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FN3O4S/c18-13-5-1-11(2-6-13)15-9-21(10-16(22)23)20-17(15)12-3-7-14(8-4-12)26(19,24)25/h1-9H,10H2,(H,22,23)(H2,19,24,25)
InChIKeyYPMWTUQYYRTAJE-UHFFFAOYSA-N
XLogP2.09
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[2-(Benzenesulfonyl)-5-fluorophenyl]methyl]-5-methyl-3-phenylpyrazol-1-yl]acetic acid
CID 76310044
2-[4-[[2-(4-Fluorophenyl)sulfonylphenyl]methyl]-5-methyl-3-phenylpyrazol-1-yl]acetic acid
CID 76313756
2-[4-[[2-(3-Fluorophenyl)sulfonylphenyl]methyl]-5-methyl-3-phenylpyrazol-1-yl]acetic acid
CID 76317266
2-[4-[[2-(2-Fluorophenyl)sulfonylphenyl]methyl]-5-methyl-3-phenylpyrazol-1-yl]acetic acid
CID 76328212
4-[1-Ethyl-4-(4-fluoro-phenyl)-5-trifluoromethyl-1H-pyrazol-3-yl]-benzenesulfonamide
CID 10223461
1-Allyl-4-(4-fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-1H-pyrazole
CID 44307569
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16588336
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-(4-fluorobenzyl)-4-methylbenzenesulfonamide
CID 19576621
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-(4-fluorobenzyl)-4-(2-methylpropyl)benzenesulfonamide
CID 44822157
2-[4-(4-Fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]butanoic acid
CID 10298875
[4-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
CID 15340919
ethyl[4-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazol-1-yl]acetate
CID 15380229

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetic acid (CID 18914553) is 2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetic acid is NS(=O)(=O)c1ccc(-c2nn(CC(=O)O)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetic acid?
The InChIKey is YPMWTUQYYRTAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4S/c18-13-5-1-11(2-6-13)15-9-21(10-16(22)23)20-17(15)12-3-7-14(8-4-12)26(19,24)25/h1-9H,10H2,(H,22,23)(H2,19,24,25).
What are the key properties of 2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetic acid?
2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetic acid has a molecular weight of 375.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 18914553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).