N-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide

C13H19N3O3S — CID 126766267

IUPACN-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide
SMILESCCCCc1cc(NS(=O)(=O)c2cc(C)oc2C)n[nH]1
InChIInChI=1S/C13H19N3O3S/c1-4-5-6-11-8-13(15-14-11)16-20(17,18)12-7-9(2)19-10(12)3/h7-8H,4-6H2,1-3H3,(H2,14,15,16)
InChIKeyOKHODFQMYQYWAX-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.76
Rot. Bonds6

About N-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide

N-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide (PubChem CID 126766267) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide.

Molecular Properties

Compound NameN-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide
PubChem CID126766267
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide
SMILESCCCCc1cc(NS(=O)(=O)c2cc(C)oc2C)n[nH]1
InChIInChI=1S/C13H19N3O3S/c1-4-5-6-11-8-13(15-14-11)16-20(17,18)12-7-9(2)19-10(12)3/h7-8H,4-6H2,1-3H3,(H2,14,15,16)
InChIKeyOKHODFQMYQYWAX-UHFFFAOYSA-N
XLogP2.76
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 2742267
3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 62525272
5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 63821150
5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 63822065
methyl 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate
CID 63822073
3-(aminomethyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 65782632
2,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]furan-3-sulfonamide
CID 75400905
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide
CID 75445353
2,5-dimethyl-N-(5-methyl-1H-pyrazol-4-yl)furan-3-sulfonamide
CID 75445360
4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 104617452
4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 104617454
5-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 104617466

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide?
The IUPAC name of N-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide (CID 126766267) is N-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide.
What is the SMILES notation for N-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide?
The canonical SMILES for N-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide is CCCCc1cc(NS(=O)(=O)c2cc(C)oc2C)n[nH]1.
What is the InChIKey of N-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide?
The InChIKey is OKHODFQMYQYWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-4-5-6-11-8-13(15-14-11)16-20(17,18)12-7-9(2)19-10(12)3/h7-8H,4-6H2,1-3H3,(H2,14,15,16).
What are the key properties of N-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide?
N-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide is sourced from PubChem (CID 126766267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).