3-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylpropane-1-sulfonamide

C10H19N3O3S — CID 100731015

IUPAC3-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylpropane-1-sulfonamide
SMILESCCn1cc(OCCCS(=O)(=O)N(C)C)cn1
InChIInChI=1S/C10H19N3O3S/c1-4-13-9-10(8-11-13)16-6-5-7-17(14,15)12(2)3/h8-9H,4-7H2,1-3H3
InChIKeyQGGHUVZWEGPNCJ-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.56
Rot. Bonds7

About 3-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylpropane-1-sulfonamide

3-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylpropane-1-sulfonamide (PubChem CID 100731015) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylpropane-1-sulfonamide
PubChem CID100731015
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name3-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylpropane-1-sulfonamide
SMILESCCn1cc(OCCCS(=O)(=O)N(C)C)cn1
InChIInChI=1S/C10H19N3O3S/c1-4-13-9-10(8-11-13)16-6-5-7-17(14,15)12(2)3/h8-9H,4-7H2,1-3H3
InChIKeyQGGHUVZWEGPNCJ-UHFFFAOYSA-N
XLogP0.56
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.56
H-Bond Donors ≤ 50
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-ethylpyrazol-4-yl)oxy-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylpropane-1-sulfonamide (CID 100731015) is 3-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylpropane-1-sulfonamide is CCn1cc(OCCCS(=O)(=O)N(C)C)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is QGGHUVZWEGPNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-4-13-9-10(8-11-13)16-6-5-7-17(14,15)12(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylpropane-1-sulfonamide?
3-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 100731015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).