3,5-diethyl-1-methylpyrazole-4-sulfonamide

C8H15N3O2S — CID 71756970

IUPAC3,5-diethyl-1-methylpyrazole-4-sulfonamide
SMILESCCc1nn(C)c(CC)c1S(N)(=O)=O
InChIInChI=1S/C8H15N3O2S/c1-4-6-8(14(9,12)13)7(5-2)11(3)10-6/h4-5H2,1-3H3,(H2,9,12,13)
InChIKeyWZDIZQUBZARQMM-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.19
Rot. Bonds3

About 3,5-diethyl-1-methylpyrazole-4-sulfonamide

3,5-diethyl-1-methylpyrazole-4-sulfonamide (PubChem CID 71756970) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 3,5-diethyl-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-diethyl-1-methylpyrazole-4-sulfonamide
PubChem CID71756970
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name3,5-diethyl-1-methylpyrazole-4-sulfonamide
SMILESCCc1nn(C)c(CC)c1S(N)(=O)=O
InChIInChI=1S/C8H15N3O2S/c1-4-6-8(14(9,12)13)7(5-2)11(3)10-6/h4-5H2,1-3H3,(H2,9,12,13)
InChIKeyWZDIZQUBZARQMM-UHFFFAOYSA-N
XLogP0.19
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3,5-diethyl-1-methylpyrazole-4-sulfonamide (CID 71756970) is 3,5-diethyl-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-diethyl-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3,5-diethyl-1-methylpyrazole-4-sulfonamide is CCc1nn(C)c(CC)c1S(N)(=O)=O.
What is the InChIKey of 3,5-diethyl-1-methylpyrazole-4-sulfonamide?
The InChIKey is WZDIZQUBZARQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-4-6-8(14(9,12)13)7(5-2)11(3)10-6/h4-5H2,1-3H3,(H2,9,12,13).
What are the key properties of 3,5-diethyl-1-methylpyrazole-4-sulfonamide?
3,5-diethyl-1-methylpyrazole-4-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 71756970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).