5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid

C11H11N3O5S — CID 114331344

IUPAC5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCc1ccc(O)cc1
InChIInChI=1S/C11H11N3O5S/c15-8-3-1-7(2-4-8)5-13-20(18,19)10-9(11(16)17)6-12-14-10/h1-4,6,13,15H,5H2,(H,12,14)(H,16,17)
InChIKeyXJXPKDKJJPALME-UHFFFAOYSA-N
MW297.29 g/mol
LogP0.29
Rot. Bonds5

About 5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 114331344) has the molecular formula C11H11N3O5S and a molecular weight of 297.29 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID114331344
Molecular FormulaC11H11N3O5S
Molecular Weight297.29 g/mol
Exact Mass297.04
IUPAC Name5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCc1ccc(O)cc1
InChIInChI=1S/C11H11N3O5S/c15-8-3-1-7(2-4-8)5-13-20(18,19)10-9(11(16)17)6-12-14-10/h1-4,6,13,15H,5H2,(H,12,14)(H,16,17)
InChIKeyXJXPKDKJJPALME-UHFFFAOYSA-N
XLogP0.29
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-cyanophenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60917739
5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911407
5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54885257
5-(1,2-oxazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 106415229
ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 171146060
5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 61473154
5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106415108
5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62274009
5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54933878
5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934219
5-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 115454212
5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911925

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 114331344) is 5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)NCc1ccc(O)cc1.
What is the InChIKey of 5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is XJXPKDKJJPALME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5S/c15-8-3-1-7(2-4-8)5-13-20(18,19)10-9(11(16)17)6-12-14-10/h1-4,6,13,15H,5H2,(H,12,14)(H,16,17).
What are the key properties of 5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 297.29 g/mol, XLogP of 0.29, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 114331344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).