3-(1-methylpyrazol-4-yl)oxypropane-1-sulfonamide

C7H13N3O3S — CID 116793900

IUPAC3-(1-methylpyrazol-4-yl)oxypropane-1-sulfonamide
SMILESCn1cc(OCCCS(N)(=O)=O)cn1
InChIInChI=1S/C7H13N3O3S/c1-10-6-7(5-9-10)13-3-2-4-14(8,11)12/h5-6H,2-4H2,1H3,(H2,8,11,12)
InChIKeyGDCGFYBOCAKLKI-UHFFFAOYSA-N
MW219.27 g/mol
LogP-0.52
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)oxypropane-1-sulfonamide

3-(1-methylpyrazol-4-yl)oxypropane-1-sulfonamide (PubChem CID 116793900) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)oxypropane-1-sulfonamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)oxypropane-1-sulfonamide
PubChem CID116793900
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC Name3-(1-methylpyrazol-4-yl)oxypropane-1-sulfonamide
SMILESCn1cc(OCCCS(N)(=O)=O)cn1
InChIInChI=1S/C7H13N3O3S/c1-10-6-7(5-9-10)13-3-2-4-14(8,11)12/h5-6H,2-4H2,1H3,(H2,8,11,12)
InChIKeyGDCGFYBOCAKLKI-UHFFFAOYSA-N
XLogP-0.52
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.52
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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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)oxypropane-1-sulfonamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)oxypropane-1-sulfonamide (CID 116793900) is 3-(1-methylpyrazol-4-yl)oxypropane-1-sulfonamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)oxypropane-1-sulfonamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)oxypropane-1-sulfonamide is Cn1cc(OCCCS(N)(=O)=O)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)oxypropane-1-sulfonamide?
The InChIKey is GDCGFYBOCAKLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-10-6-7(5-9-10)13-3-2-4-14(8,11)12/h5-6H,2-4H2,1H3,(H2,8,11,12).
What are the key properties of 3-(1-methylpyrazol-4-yl)oxypropane-1-sulfonamide?
3-(1-methylpyrazol-4-yl)oxypropane-1-sulfonamide has a molecular weight of 219.27 g/mol, XLogP of -0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)oxypropane-1-sulfonamide is sourced from PubChem (CID 116793900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).