1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide

C11H19N3O3S — CID 19682487

IUPAC1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C11H19N3O3S/c1-8-11(9(2)14(3)13-8)18(15,16)12-7-10-5-4-6-17-10/h10,12H,4-7H2,1-3H3
InChIKeyJAEIAELCYOGQSO-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.49
Rot. Bonds4

About 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide

1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 19682487) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID19682487
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C11H19N3O3S/c1-8-11(9(2)14(3)13-8)18(15,16)12-7-10-5-4-6-17-10/h10,12H,4-7H2,1-3H3
InChIKeyJAEIAELCYOGQSO-UHFFFAOYSA-N
XLogP0.49
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide (CID 19682487) is 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC1CCCO1.
What is the InChIKey of 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is JAEIAELCYOGQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-8-11(9(2)14(3)13-8)18(15,16)12-7-10-5-4-6-17-10/h10,12H,4-7H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19682487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).