5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid

C10H17N3O4S — CID 62200773

IUPAC5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESCCCCC(C)NS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C10H17N3O4S/c1-3-4-5-7(2)13-18(16,17)9-8(10(14)15)6-11-12-9/h6-7,13H,3-5H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyZSJDADRERGUEFR-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.96
Rot. Bonds7

About 5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid

5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 62200773) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
PubChem CID62200773
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESCCCCC(C)NS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C10H17N3O4S/c1-3-4-5-7(2)13-18(16,17)9-8(10(14)15)6-11-12-9/h6-7,13H,3-5H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyZSJDADRERGUEFR-UHFFFAOYSA-N
XLogP0.96
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54933933
ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60712845
5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912163
5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106281469
5-(hexan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
CID 62199832
5-(hexan-2-ylsulfamoyl)-2-methylbenzoic acid
CID 62199105
5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106185878
5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106252762
3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 62200209
5-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60912161
5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 81352466
5-[(2-hydroxy-2-methylpentyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114169194

Frequently Asked Questions

What is the IUPAC name of 5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid (CID 62200773) is 5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid is CCCCC(C)NS(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is ZSJDADRERGUEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-3-4-5-7(2)13-18(16,17)9-8(10(14)15)6-11-12-9/h6-7,13H,3-5H2,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 62200773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).