3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide

C13H23N3O3S — CID 82700004

IUPAC3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCCc1nn(CC2CCCCO2)c(CC)c1S(N)(=O)=O
InChIInChI=1S/C13H23N3O3S/c1-3-11-13(20(14,17)18)12(4-2)16(15-11)9-10-7-5-6-8-19-10/h10H,3-9H2,1-2H3,(H2,14,17,18)
InChIKeyJNGWCXSKQMMJSA-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.22
Rot. Bonds5

About 3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide

3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 82700004) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID82700004
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCCc1nn(CC2CCCCO2)c(CC)c1S(N)(=O)=O
InChIInChI=1S/C13H23N3O3S/c1-3-11-13(20(14,17)18)12(4-2)16(15-11)9-10-7-5-6-8-19-10/h10H,3-9H2,1-2H3,(H2,14,17,18)
InChIKeyJNGWCXSKQMMJSA-UHFFFAOYSA-N
XLogP1.22
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide (CID 82700004) is 3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide is CCc1nn(CC2CCCCO2)c(CC)c1S(N)(=O)=O.
What is the InChIKey of 3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is JNGWCXSKQMMJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-3-11-13(20(14,17)18)12(4-2)16(15-11)9-10-7-5-6-8-19-10/h10H,3-9H2,1-2H3,(H2,14,17,18).
What are the key properties of 3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide?
3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 82700004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).