N-(4-ethyl-1H-pyrazol-5-yl)propane-1-sulfonamide

C8H15N3O2S — CID 104620984

IUPACN-(4-ethyl-1H-pyrazol-5-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1[nH]ncc1CC
InChIInChI=1S/C8H15N3O2S/c1-3-5-14(12,13)11-8-7(4-2)6-9-10-8/h6H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyLWBHVBKNAYJCLL-UHFFFAOYSA-N
MW217.29 g/mol
LogP1.12
Rot. Bonds5

About N-(4-ethyl-1H-pyrazol-5-yl)propane-1-sulfonamide

N-(4-ethyl-1H-pyrazol-5-yl)propane-1-sulfonamide (PubChem CID 104620984) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)propane-1-sulfonamide
PubChem CID104620984
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1[nH]ncc1CC
InChIInChI=1S/C8H15N3O2S/c1-3-5-14(12,13)11-8-7(4-2)6-9-10-8/h6H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyLWBHVBKNAYJCLL-UHFFFAOYSA-N
XLogP1.12
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)propane-1-sulfonamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)propane-1-sulfonamide (CID 104620984) is N-(4-ethyl-1H-pyrazol-5-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)propane-1-sulfonamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1[nH]ncc1CC.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)propane-1-sulfonamide?
The InChIKey is LWBHVBKNAYJCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-3-5-14(12,13)11-8-7(4-2)6-9-10-8/h6H,3-5H2,1-2H3,(H2,9,10,11).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)propane-1-sulfonamide?
N-(4-ethyl-1H-pyrazol-5-yl)propane-1-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)propane-1-sulfonamide is sourced from PubChem (CID 104620984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).