2-(methoxymethyl)-N-pentylpyrazole-3-sulfonamide

C10H19N3O3S — CID 167287792

IUPAC2-(methoxymethyl)-N-pentylpyrazole-3-sulfonamide
SMILESCCCCCNS(=O)(=O)c1ccnn1COC
InChIInChI=1S/C10H19N3O3S/c1-3-4-5-7-12-17(14,15)10-6-8-11-13(10)9-16-2/h6,8,12H,3-5,7,9H2,1-2H3
InChIKeyNTHLHECARQAENK-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.96
Rot. Bonds8

About 2-(methoxymethyl)-N-pentylpyrazole-3-sulfonamide

2-(methoxymethyl)-N-pentylpyrazole-3-sulfonamide (PubChem CID 167287792) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-pentylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-pentylpyrazole-3-sulfonamide
PubChem CID167287792
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name2-(methoxymethyl)-N-pentylpyrazole-3-sulfonamide
SMILESCCCCCNS(=O)(=O)c1ccnn1COC
InChIInChI=1S/C10H19N3O3S/c1-3-4-5-7-12-17(14,15)10-6-8-11-13(10)9-16-2/h6,8,12H,3-5,7,9H2,1-2H3
InChIKeyNTHLHECARQAENK-UHFFFAOYSA-N
XLogP0.96
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.96
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 2-(methoxymethyl)-N-pentylpyrazole-3-sulfonamide?
The IUPAC name of 2-(methoxymethyl)-N-pentylpyrazole-3-sulfonamide (CID 167287792) is 2-(methoxymethyl)-N-pentylpyrazole-3-sulfonamide.
What is the SMILES notation for 2-(methoxymethyl)-N-pentylpyrazole-3-sulfonamide?
The canonical SMILES for 2-(methoxymethyl)-N-pentylpyrazole-3-sulfonamide is CCCCCNS(=O)(=O)c1ccnn1COC.
What is the InChIKey of 2-(methoxymethyl)-N-pentylpyrazole-3-sulfonamide?
The InChIKey is NTHLHECARQAENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-3-4-5-7-12-17(14,15)10-6-8-11-13(10)9-16-2/h6,8,12H,3-5,7,9H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-N-pentylpyrazole-3-sulfonamide?
2-(methoxymethyl)-N-pentylpyrazole-3-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-pentylpyrazole-3-sulfonamide is sourced from PubChem (CID 167287792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).