2-methyl-4-(4-methylphenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)-3H-pyrazole-5-carboxylic acid

C26H27N3O4S — CID 70294659

IUPAC2-methyl-4-(4-methylphenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)-3H-pyrazole-5-carboxylic acid
SMILESCc1ccc(C2=C(C(=O)O)N(CCc3ccccc3)N(C)C2c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C26H27N3O4S/c1-18-8-10-20(11-9-18)23-24(21-12-14-22(15-13-21)34(27,32)33)28(2)29(25(23)26(30)31)17-16-19-6-4-3-5-7-19/h3-15,24H,16-17H2,1-2H3,(H,30,31)(H2,27,32,33)
InChIKeyYTZVVWBUXVZALS-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.58
Rot. Bonds7

About 2-methyl-4-(4-methylphenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)-3H-pyrazole-5-carboxylic acid

2-methyl-4-(4-methylphenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)-3H-pyrazole-5-carboxylic acid (PubChem CID 70294659) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is 2-methyl-4-(4-methylphenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)-3H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-(4-methylphenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)-3H-pyrazole-5-carboxylic acid
PubChem CID70294659
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name2-methyl-4-(4-methylphenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)-3H-pyrazole-5-carboxylic acid
SMILESCc1ccc(C2=C(C(=O)O)N(CCc3ccccc3)N(C)C2c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C26H27N3O4S/c1-18-8-10-20(11-9-18)23-24(21-12-14-22(15-13-21)34(27,32)33)28(2)29(25(23)26(30)31)17-16-19-6-4-3-5-7-19/h3-15,24H,16-17H2,1-2H3,(H,30,31)(H2,27,32,33)
InChIKeyYTZVVWBUXVZALS-UHFFFAOYSA-N
XLogP3.58
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-(4-methylphenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)-3H-pyrazole-5-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylphenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)-3H-pyrazole-5-carboxylic acid?
The IUPAC name of 2-methyl-4-(4-methylphenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)-3H-pyrazole-5-carboxylic acid (CID 70294659) is 2-methyl-4-(4-methylphenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)-3H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4-(4-methylphenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)-3H-pyrazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-4-(4-methylphenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)-3H-pyrazole-5-carboxylic acid is Cc1ccc(C2=C(C(=O)O)N(CCc3ccccc3)N(C)C2c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-methyl-4-(4-methylphenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)-3H-pyrazole-5-carboxylic acid?
The InChIKey is YTZVVWBUXVZALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-18-8-10-20(11-9-18)23-24(21-12-14-22(15-13-21)34(27,32)33)28(2)29(25(23)26(30)31)17-16-19-6-4-3-5-7-19/h3-15,24H,16-17H2,1-2H3,(H,30,31)(H2,27,32,33).
What are the key properties of 2-methyl-4-(4-methylphenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)-3H-pyrazole-5-carboxylic acid?
2-methyl-4-(4-methylphenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)-3H-pyrazole-5-carboxylic acid has a molecular weight of 477.59 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylphenyl)-1-(2-phenylethyl)-3-(4-sulfamoylphenyl)-3H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 70294659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).