5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide

C11H22N4O3S — CID 82460008

IUPAC5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(N)c1S(=O)(=O)NCCCOC(C)C
InChIInChI=1S/C11H22N4O3S/c1-8(2)18-7-5-6-13-19(16,17)10-9(3)14-15(4)11(10)12/h8,13H,5-7,12H2,1-4H3
InChIKeyOEOGVGMHPRNBKE-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.40
Rot. Bonds7

About 5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide

5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide (PubChem CID 82460008) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
PubChem CID82460008
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC Name5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(N)c1S(=O)(=O)NCCCOC(C)C
InChIInChI=1S/C11H22N4O3S/c1-8(2)18-7-5-6-13-19(16,17)10-9(3)14-15(4)11(10)12/h8,13H,5-7,12H2,1-4H3
InChIKeyOEOGVGMHPRNBKE-UHFFFAOYSA-N
XLogP0.40
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-1,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 105358902
3-amino-1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4-sulfonamide
CID 105358949
3-amino-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359159
3-amino-1,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide
CID 105359160
3-amino-1,5-dimethyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
CID 105359161
3-amino-1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide
CID 105641613
3-amino-N-(3,3-difluoro-2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105641823
3-amino-N-[2-(2,2-difluoroethoxy)ethyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105905396
3-amino-1,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazole-4-sulfonamide
CID 105926817
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 106165579
1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684327
5-amino-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 28330497

Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide (CID 82460008) is 5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide is Cc1nn(C)c(N)c1S(=O)(=O)NCCCOC(C)C.
What is the InChIKey of 5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide?
The InChIKey is OEOGVGMHPRNBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-8(2)18-7-5-6-13-19(16,17)10-9(3)14-15(4)11(10)12/h8,13H,5-7,12H2,1-4H3.
What are the key properties of 5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide?
5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 82460008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).