1-ethyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-sulfonamide

C12H19N3O2S — CID 19684163

IUPAC1-ethyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-sulfonamide
SMILESC#CC(CC)(CC)NS(=O)(=O)c1cnn(CC)c1
InChIInChI=1S/C12H19N3O2S/c1-5-12(6-2,7-3)14-18(16,17)11-9-13-15(8-4)10-11/h1,9-10,14H,6-8H2,2-4H3
InChIKeyCGWZZTXYRKIVME-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.37
Rot. Bonds6

About 1-ethyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-sulfonamide

1-ethyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-sulfonamide (PubChem CID 19684163) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-ethyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-sulfonamide
PubChem CID19684163
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-ethyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-sulfonamide
SMILESC#CC(CC)(CC)NS(=O)(=O)c1cnn(CC)c1
InChIInChI=1S/C12H19N3O2S/c1-5-12(6-2,7-3)14-18(16,17)11-9-13-15(8-4)10-11/h1,9-10,14H,6-8H2,2-4H3
InChIKeyCGWZZTXYRKIVME-UHFFFAOYSA-N
XLogP1.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-sulfonamide (CID 19684163) is 1-ethyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-sulfonamide is C#CC(CC)(CC)NS(=O)(=O)c1cnn(CC)c1.
What is the InChIKey of 1-ethyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-sulfonamide?
The InChIKey is CGWZZTXYRKIVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-5-12(6-2,7-3)14-18(16,17)11-9-13-15(8-4)10-11/h1,9-10,14H,6-8H2,2-4H3.
What are the key properties of 1-ethyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-sulfonamide?
1-ethyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19684163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).