5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid

C11H18N4O5S — CID 60950091

IUPAC5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C11H18N4O5S/c1-4-15(5-2)9(16)7-14(3)21(19,20)10-8(11(17)18)6-12-13-10/h6H,4-5,7H2,1-3H3,(H,12,13)(H,17,18)
InChIKeyCLAQAUXKOGEJHS-UHFFFAOYSA-N
MW318.36 g/mol
LogP-0.40
Rot. Bonds7

About 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 60950091) has the molecular formula C11H18N4O5S and a molecular weight of 318.36 g/mol. Its IUPAC name is 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID60950091
Molecular FormulaC11H18N4O5S
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C11H18N4O5S/c1-4-15(5-2)9(16)7-14(3)21(19,20)10-8(11(17)18)6-12-13-10/h6H,4-5,7H2,1-3H3,(H,12,13)(H,17,18)
InChIKeyCLAQAUXKOGEJHS-UHFFFAOYSA-N
XLogP-0.40
TPSA123.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60910761
ethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 47265875
5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60949550
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61028167
5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114948674
5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 107397572
ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 51330519
5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950521
5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950268
5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950374
5-[methyl(oxan-3-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 63712565
5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60951166

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 60950091) is 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid is CCN(CC)C(=O)CN(C)S(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is CLAQAUXKOGEJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O5S/c1-4-15(5-2)9(16)7-14(3)21(19,20)10-8(11(17)18)6-12-13-10/h6H,4-5,7H2,1-3H3,(H,12,13)(H,17,18).
What are the key properties of 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 318.36 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 60950091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).