N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide

C12H16N4O3S — CID 115991442

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
SMILESCCc1nn(C)cc1CNS(=O)(=O)c1c[nH]ccc1=O
InChIInChI=1S/C12H16N4O3S/c1-3-10-9(8-16(2)15-10)6-14-20(18,19)12-7-13-5-4-11(12)17/h4-5,7-8,14H,3,6H2,1-2H3,(H,13,17)
InChIKeyRAQFSMOMFUSFLN-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.15
Rot. Bonds5

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide (PubChem CID 115991442) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
PubChem CID115991442
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
SMILESCCc1nn(C)cc1CNS(=O)(=O)c1c[nH]ccc1=O
InChIInChI=1S/C12H16N4O3S/c1-3-10-9(8-16(2)15-10)6-14-20(18,19)12-7-13-5-4-11(12)17/h4-5,7-8,14H,3,6H2,1-2H3,(H,13,17)
InChIKeyRAQFSMOMFUSFLN-UHFFFAOYSA-N
XLogP0.15
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide
CID 112550104
2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 106546673
4-amino-3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 115990672
5-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrrole-3-sulfonamide
CID 106077320
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 115990626
5-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106077299
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-methylbenzenesulfonamide
CID 115989655
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine
CID 115885710
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline
CID 115989506
3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]propane-1-sulfonamide
CID 112671892
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 106405985
3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine
CID 115897990

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide (CID 115991442) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide is CCc1nn(C)cc1CNS(=O)(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is RAQFSMOMFUSFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-3-10-9(8-16(2)15-10)6-14-20(18,19)12-7-13-5-4-11(12)17/h4-5,7-8,14H,3,6H2,1-2H3,(H,13,17).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 115991442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).