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

C11H19N3O4S — CID 54933933

IUPAC5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESCCCCCC(C)NS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C11H19N3O4S/c1-3-4-5-6-8(2)14-19(17,18)10-9(11(15)16)7-12-13-10/h7-8,14H,3-6H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyPJZQHDAYMKFQCC-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.36
Rot. Bonds8

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

5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 54933933) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
PubChem CID54933933
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESCCCCCC(C)NS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C11H19N3O4S/c1-3-4-5-6-8(2)14-19(17,18)10-9(11(15)16)7-12-13-10/h7-8,14H,3-6H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyPJZQHDAYMKFQCC-UHFFFAOYSA-N
XLogP1.36
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62200773
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
4-(heptan-2-ylsulfamoyl)benzoic acid
CID 43420676
5-(hexan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
CID 62199832
5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106185878
5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide
CID 61478998
5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106252762
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
3-(heptan-2-ylsulfamoyl)benzoic acid
CID 43398472

Frequently Asked Questions

What is the IUPAC name of 5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid (CID 54933933) is 5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid is CCCCCC(C)NS(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is PJZQHDAYMKFQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-3-4-5-6-8(2)14-19(17,18)10-9(11(15)16)7-12-13-10/h7-8,14H,3-6H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 54933933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).