4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid

C11H19N3O5S — CID 106185722

About 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid

4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 106185722) has the molecular formula C11H19N3O5S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
• PubChem CID: 106185722
• Molecular Formula: C11H19N3O5S
• Molecular Weight: 305.36 g/mol
• Exact Mass: 305.10
• IUPAC Name: 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
• SMILES: Cc1[nH]nc(C(=O)O)c1S(=O)(=O)NC(C)(C)C(C)(C)O
• InChI: InChI=1S/C11H19N3O5S/c1-6-8(7(9(15)16)13-12-6)20(18,19)14-10(2,3)11(4,5)17/h14,17H,1-5H3,(H,12,13)(H,15,16)
• InChIKey: ZMFMHOOFBDTMHN-UHFFFAOYSA-N
• XLogP: 0.24
• TPSA: 132.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.36
LogP ≤ 5	0.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid?

The IUPAC name of 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid (CID 106185722) is 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid.

What is the SMILES notation for 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid?

The canonical SMILES for 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid is Cc1[nH]nc(C(=O)O)c1S(=O)(=O)NC(C)(C)C(C)(C)O.

What is the InChIKey of 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid?

The InChIKey is ZMFMHOOFBDTMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5S/c1-6-8(7(9(15)16)13-12-6)20(18,19)14-10(2,3)11(4,5)17/h14,17H,1-5H3,(H,12,13)(H,15,16).

What are the key properties of 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid?

4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 0.24, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 106185722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).