2-[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid

C19H19N3O4S — CID 69435721

IUPAC2-[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid
SMILESCc1ccc(-c2cc(C(C)C(=O)O)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H19N3O4S/c1-12-3-5-14(6-4-12)18-11-17(13(2)19(23)24)21-22(18)15-7-9-16(10-8-15)27(20,25)26/h3-11,13H,1-2H3,(H,23,24)(H2,20,25,26)
InChIKeyQBAHNTMLIVJEKY-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.68
Rot. Bonds5

About 2-[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid

2-[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid (PubChem CID 69435721) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid
PubChem CID69435721
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name2-[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid
SMILESCc1ccc(-c2cc(C(C)C(=O)O)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H19N3O4S/c1-12-3-5-14(6-4-12)18-11-17(13(2)19(23)24)21-22(18)15-7-9-16(10-8-15)27(20,25)26/h3-11,13H,1-2H3,(H,23,24)(H2,20,25,26)
InChIKeyQBAHNTMLIVJEKY-UHFFFAOYSA-N
XLogP2.68
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid?
The IUPAC name of 2-[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid (CID 69435721) is 2-[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid.
What is the SMILES notation for 2-[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid?
The canonical SMILES for 2-[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid is Cc1ccc(-c2cc(C(C)C(=O)O)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid?
The InChIKey is QBAHNTMLIVJEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12-3-5-14(6-4-12)18-11-17(13(2)19(23)24)21-22(18)15-7-9-16(10-8-15)27(20,25)26/h3-11,13H,1-2H3,(H,23,24)(H2,20,25,26).
What are the key properties of 2-[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid?
2-[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid has a molecular weight of 385.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid is sourced from PubChem (CID 69435721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).