5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-1H-pyrazole-4-carboxylic acid

C10H15N3O6S — CID 60950374

IUPAC5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCOC(=O)CN(C(C)C)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C10H15N3O6S/c1-6(2)13(5-8(14)19-3)20(17,18)9-7(10(15)16)4-11-12-9/h4,6H,5H2,1-3H3,(H,11,12)(H,15,16)
InChIKeyPSNZERIDLDQCNT-UHFFFAOYSA-N
MW305.31 g/mol
LogP-0.32
Rot. Bonds6

About 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 60950374) has the molecular formula C10H15N3O6S and a molecular weight of 305.31 g/mol. Its IUPAC name is 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID60950374
Molecular FormulaC10H15N3O6S
Molecular Weight305.31 g/mol
Exact Mass305.07
IUPAC Name5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCOC(=O)CN(C(C)C)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C10H15N3O6S/c1-6(2)13(5-8(14)19-3)20(17,18)9-7(10(15)16)4-11-12-9/h4,6H,5H2,1-3H3,(H,11,12)(H,15,16)
InChIKeyPSNZERIDLDQCNT-UHFFFAOYSA-N
XLogP-0.32
TPSA129.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-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

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 60950374) is 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-1H-pyrazole-4-carboxylic acid is COC(=O)CN(C(C)C)S(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is PSNZERIDLDQCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6S/c1-6(2)13(5-8(14)19-3)20(17,18)9-7(10(15)16)4-11-12-9/h4,6H,5H2,1-3H3,(H,11,12)(H,15,16).
What are the key properties of 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 305.31 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 60950374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).