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

C12H23N3O3S — CID 19684327

IUPAC1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCCOC(C)C
InChIInChI=1S/C12H23N3O3S/c1-9(2)18-8-6-7-13-19(16,17)12-10(3)14-15(5)11(12)4/h9,13H,6-8H2,1-5H3
InChIKeyBMCKSFIIRMEZOT-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.13
Rot. Bonds7

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

1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide (PubChem CID 19684327) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
PubChem CID19684327
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCCOC(C)C
InChIInChI=1S/C12H23N3O3S/c1-9(2)18-8-6-7-13-19(16,17)12-10(3)14-15(5)11(12)4/h9,13H,6-8H2,1-5H3
InChIKeyBMCKSFIIRMEZOT-UHFFFAOYSA-N
XLogP1.13
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684333
1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684332
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 83040038
1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide
CID 126821597
7-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]heptanoic acid
CID 43241419
N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62666487
3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 28727158
1,3,5-trimethyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 22207301
1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 55100929
N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115613419
N-(2-cyanopropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62653855

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide (CID 19684327) is 1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCCCOC(C)C.
What is the InChIKey of 1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide?
The InChIKey is BMCKSFIIRMEZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-9(2)18-8-6-7-13-19(16,17)12-10(3)14-15(5)11(12)4/h9,13H,6-8H2,1-5H3.
What are the key properties of 1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide has a molecular weight of 289.40 g/mol, XLogP of 1.13, 7 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-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19684327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).