5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C12H21N3O5S — CID 60951166

IUPAC5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCCC(CC)N(CCOC)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C12H21N3O5S/c1-4-9(5-2)15(6-7-20-3)21(18,19)11-10(12(16)17)8-13-14-11/h8-9H,4-7H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyIPXOYCLOKUYVDH-UHFFFAOYSA-N
MW319.38 g/mol
LogP0.93
Rot. Bonds9

About 5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 60951166) has the molecular formula C12H21N3O5S and a molecular weight of 319.38 g/mol. Its IUPAC name is 5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID60951166
Molecular FormulaC12H21N3O5S
Molecular Weight319.38 g/mol
Exact Mass319.12
IUPAC Name5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCCC(CC)N(CCOC)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C12H21N3O5S/c1-4-9(5-2)15(6-7-20-3)21(18,19)11-10(12(16)17)8-13-14-11/h8-9H,4-7H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyIPXOYCLOKUYVDH-UHFFFAOYSA-N
XLogP0.93
TPSA112.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 60951166) is 5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is CCC(CC)N(CCOC)S(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is IPXOYCLOKUYVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5S/c1-4-9(5-2)15(6-7-20-3)21(18,19)11-10(12(16)17)8-13-14-11/h8-9H,4-7H2,1-3H3,(H,13,14)(H,16,17).
What are the key properties of 5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 319.38 g/mol, XLogP of 0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 60951166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).