5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid

C11H19N3O5S — CID 106252762

IUPAC5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCCC(CC)(CO)CNS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C11H19N3O5S/c1-3-11(4-2,7-15)6-13-20(18,19)9-8(10(16)17)5-12-14-9/h5,13,15H,3-4,6-7H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyNBIKZXYGXGJUEC-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.18
Rot. Bonds8

About 5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 106252762) has the molecular formula C11H19N3O5S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID106252762
Molecular FormulaC11H19N3O5S
Molecular Weight305.36 g/mol
Exact Mass305.10
IUPAC Name5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCCC(CC)(CO)CNS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C11H19N3O5S/c1-3-11(4-2,7-15)6-13-20(18,19)9-8(10(16)17)5-12-14-9/h5,13,15H,3-4,6-7H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyNBIKZXYGXGJUEC-UHFFFAOYSA-N
XLogP0.18
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-hydroxy-2-methylpentyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114169194
ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 119989814
5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54933878
N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide
CID 113334733
5-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 115454212
5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934219
5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62274009
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103843692
5-[(2-oxo-2-piperidin-1-ylethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 115596223
5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62200773
5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114331344
5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54885257

Frequently Asked Questions

What is the IUPAC name of 5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 106252762) is 5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid is CCC(CC)(CO)CNS(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is NBIKZXYGXGJUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5S/c1-3-11(4-2,7-15)6-13-20(18,19)9-8(10(16)17)5-12-14-9/h5,13,15H,3-4,6-7H2,1-2H3,(H,12,14)(H,16,17).
What are the key properties of 5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 0.18, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 106252762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).