3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid

C16H12ClN3O4S — CID 52916544

IUPAC3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid
SMILESNS(=O)(=O)c1ccc(-n2cc(C(=O)O)c(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C16H12ClN3O4S/c17-11-3-1-10(2-4-11)15-14(16(21)22)9-20(19-15)12-5-7-13(8-6-12)25(18,23)24/h1-9H,(H,21,22)(H2,18,23,24)
InChIKeyAMGLJTTXODUYEM-UHFFFAOYSA-N
MW377.81 g/mol
LogP2.54
Rot. Bonds4

About 3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid

3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid (PubChem CID 52916544) has the molecular formula C16H12ClN3O4S and a molecular weight of 377.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid
PubChem CID52916544
Molecular FormulaC16H12ClN3O4S
Molecular Weight377.81 g/mol
Exact Mass377.02
IUPAC Name3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid
SMILESNS(=O)(=O)c1ccc(-n2cc(C(=O)O)c(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C16H12ClN3O4S/c17-11-3-1-10(2-4-11)15-14(16(21)22)9-20(19-15)12-5-7-13(8-6-12)25(18,23)24/h1-9H,(H,21,22)(H2,18,23,24)
InChIKeyAMGLJTTXODUYEM-UHFFFAOYSA-N
XLogP2.54
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.81
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 43543103
3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxylic acid
CID 166792125
2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid
CID 162654790
1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 166792117
[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone
CID 12737865
1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43324242
4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide
CID 173275535
[3,5-bis(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl] hydrogen carbonate
CID 70280192
1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid
CID 43217709
4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 54241160
1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 3710502
[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 52525608

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid (CID 52916544) is 3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid is NS(=O)(=O)c1ccc(-n2cc(C(=O)O)c(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid?
The InChIKey is AMGLJTTXODUYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O4S/c17-11-3-1-10(2-4-11)15-14(16(21)22)9-20(19-15)12-5-7-13(8-6-12)25(18,23)24/h1-9H,(H,21,22)(H2,18,23,24).
What are the key properties of 3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid?
3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid has a molecular weight of 377.81 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 52916544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).