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

C10H17N3O3S — CID 17371563

IUPAC1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C10H17N3O3S/c1-8-10(7-13(2)12-8)17(14,15)11-6-9-4-3-5-16-9/h7,9,11H,3-6H2,1-2H3
InChIKeyUOBNNXIJOIRMPU-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.19
Rot. Bonds4

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

1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 17371563) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID17371563
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C10H17N3O3S/c1-8-10(7-13(2)12-8)17(14,15)11-6-9-4-3-5-16-9/h7,9,11H,3-6H2,1-2H3
InChIKeyUOBNNXIJOIRMPU-UHFFFAOYSA-N
XLogP0.19
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide (CID 17371563) is 1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NCC1CCCO1.
What is the InChIKey of 1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is UOBNNXIJOIRMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-8-10(7-13(2)12-8)17(14,15)11-6-9-4-3-5-16-9/h7,9,11H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide?
1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 17371563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).