5-[(2-hydroxy-2-methylpentyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C10H17N3O5S — CID 114169194

IUPAC5-[(2-hydroxy-2-methylpentyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCCCC(C)(O)CNS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C10H17N3O5S/c1-3-4-10(2,16)6-12-19(17,18)8-7(9(14)15)5-11-13-8/h5,12,16H,3-4,6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyZJGRQOCPNIBJKD-UHFFFAOYSA-N
MW291.33 g/mol
LogP-0.06
Rot. Bonds7

About 5-[(2-hydroxy-2-methylpentyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[(2-hydroxy-2-methylpentyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 114169194) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-[(2-hydroxy-2-methylpentyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-hydroxy-2-methylpentyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID114169194
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC Name5-[(2-hydroxy-2-methylpentyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCCCC(C)(O)CNS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C10H17N3O5S/c1-3-4-10(2,16)6-12-19(17,18)8-7(9(14)15)5-11-13-8/h5,12,16H,3-4,6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyZJGRQOCPNIBJKD-UHFFFAOYSA-N
XLogP-0.06
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106252762
6-[(2-hydroxy-2-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106290912
5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54933878
5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934219
N-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103712960
5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62274009
ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 119989814
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-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106234889
5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114331344
5-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 115454212

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-2-methylpentyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(2-hydroxy-2-methylpentyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 114169194) is 5-[(2-hydroxy-2-methylpentyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-hydroxy-2-methylpentyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-hydroxy-2-methylpentyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is CCCC(C)(O)CNS(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[(2-hydroxy-2-methylpentyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is ZJGRQOCPNIBJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S/c1-3-4-10(2,16)6-12-19(17,18)8-7(9(14)15)5-11-13-8/h5,12,16H,3-4,6H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 5-[(2-hydroxy-2-methylpentyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(2-hydroxy-2-methylpentyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of -0.06, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-2-methylpentyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 114169194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).