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

C10H17N3O3S — CID 19682491

IUPAC1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC2CCCO2)cnn1C
InChIInChI=1S/C10H17N3O3S/c1-8-10(7-11-13(8)2)17(14,15)12-6-9-4-3-5-16-9/h7,9,12H,3-6H2,1-2H3
InChIKeyBQPXKPPEYZMVQP-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.19
Rot. Bonds4

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

1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 19682491) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID19682491
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC2CCCO2)cnn1C
InChIInChI=1S/C10H17N3O3S/c1-8-10(7-11-13(8)2)17(14,15)12-6-9-4-3-5-16-9/h7,9,12H,3-6H2,1-2H3
InChIKeyBQPXKPPEYZMVQP-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 1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide (CID 19682491) is 1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCC2CCCO2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is BQPXKPPEYZMVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-8-10(7-11-13(8)2)17(14,15)12-6-9-4-3-5-16-9/h7,9,12H,3-6H2,1-2H3.
What are the key properties of 1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide?
1,5-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 1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19682491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).