3,5-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide

C13H25N3O3S — CID 115943810

IUPAC3,5-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide
SMILESCCc1nn(CCOC(C)(C)C)c(CC)c1S(N)(=O)=O
InChIInChI=1S/C13H25N3O3S/c1-6-10-12(20(14,17)18)11(7-2)16(15-10)8-9-19-13(3,4)5/h6-9H2,1-5H3,(H2,14,17,18)
InChIKeyOLBLNXMSXKJGFF-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.47
Rot. Bonds6

About 3,5-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide

3,5-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide (PubChem CID 115943810) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 3,5-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide
PubChem CID115943810
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name3,5-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide
SMILESCCc1nn(CCOC(C)(C)C)c(CC)c1S(N)(=O)=O
InChIInChI=1S/C13H25N3O3S/c1-6-10-12(20(14,17)18)11(7-2)16(15-10)8-9-19-13(3,4)5/h6-9H2,1-5H3,(H2,14,17,18)
InChIKeyOLBLNXMSXKJGFF-UHFFFAOYSA-N
XLogP1.47
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 3,5-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide (CID 115943810) is 3,5-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide is CCc1nn(CCOC(C)(C)C)c(CC)c1S(N)(=O)=O.
What is the InChIKey of 3,5-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide?
The InChIKey is OLBLNXMSXKJGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-6-10-12(20(14,17)18)11(7-2)16(15-10)8-9-19-13(3,4)5/h6-9H2,1-5H3,(H2,14,17,18).
What are the key properties of 3,5-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide?
3,5-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 115943810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).