4-(3,5-diethylpyrazol-1-yl)pyridine-3-sulfonamide

C12H16N4O2S — CID 73349517

IUPAC4-(3,5-diethylpyrazol-1-yl)pyridine-3-sulfonamide
SMILESCCc1cc(CC)n(-c2ccncc2S(N)(=O)=O)n1
InChIInChI=1S/C12H16N4O2S/c1-3-9-7-10(4-2)16(15-9)11-5-6-14-8-12(11)19(13,17)18/h5-8H,3-4H2,1-2H3,(H2,13,17,18)
InChIKeyZCMUSNXJUORREU-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.04
Rot. Bonds4

About 4-(3,5-diethylpyrazol-1-yl)pyridine-3-sulfonamide

4-(3,5-diethylpyrazol-1-yl)pyridine-3-sulfonamide (PubChem CID 73349517) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-(3,5-diethylpyrazol-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(3,5-diethylpyrazol-1-yl)pyridine-3-sulfonamide
PubChem CID73349517
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-(3,5-diethylpyrazol-1-yl)pyridine-3-sulfonamide
SMILESCCc1cc(CC)n(-c2ccncc2S(N)(=O)=O)n1
InChIInChI=1S/C12H16N4O2S/c1-3-9-7-10(4-2)16(15-9)11-5-6-14-8-12(11)19(13,17)18/h5-8H,3-4H2,1-2H3,(H2,13,17,18)
InChIKeyZCMUSNXJUORREU-UHFFFAOYSA-N
XLogP1.04
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diethylpyrazol-1-yl)pyridine-3-sulfonamide?
The IUPAC name of 4-(3,5-diethylpyrazol-1-yl)pyridine-3-sulfonamide (CID 73349517) is 4-(3,5-diethylpyrazol-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-(3,5-diethylpyrazol-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for 4-(3,5-diethylpyrazol-1-yl)pyridine-3-sulfonamide is CCc1cc(CC)n(-c2ccncc2S(N)(=O)=O)n1.
What is the InChIKey of 4-(3,5-diethylpyrazol-1-yl)pyridine-3-sulfonamide?
The InChIKey is ZCMUSNXJUORREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-9-7-10(4-2)16(15-9)11-5-6-14-8-12(11)19(13,17)18/h5-8H,3-4H2,1-2H3,(H2,13,17,18).
What are the key properties of 4-(3,5-diethylpyrazol-1-yl)pyridine-3-sulfonamide?
4-(3,5-diethylpyrazol-1-yl)pyridine-3-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diethylpyrazol-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 73349517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).