3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide

C15H22N6O3S — CID 126930391

IUPAC3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC1CCCCN1c1ccc(=O)[nH]n1
InChIInChI=1S/C15H22N6O3S/c1-10-15(11(2)18-17-10)25(23,24)16-9-12-5-3-4-8-21(12)13-6-7-14(22)20-19-13/h6-7,12,16H,3-5,8-9H2,1-2H3,(H,17,18)(H,20,22)
InChIKeyYBLCKQAEYUAHNC-UHFFFAOYSA-N
MW366.45 g/mol
LogP0.45
Rot. Bonds5

About 3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 126930391) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide
PubChem CID126930391
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC Name3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC1CCCCN1c1ccc(=O)[nH]n1
InChIInChI=1S/C15H22N6O3S/c1-10-15(11(2)18-17-10)25(23,24)16-9-12-5-3-4-8-21(12)13-6-7-14(22)20-19-13/h6-7,12,16H,3-5,8-9H2,1-2H3,(H,17,18)(H,20,22)
InChIKeyYBLCKQAEYUAHNC-UHFFFAOYSA-N
XLogP0.45
TPSA123.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide with MolForge

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Related Compounds

3-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930439
3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930486
3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930427
3-[2-[[(6-cyclopropylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930428
3-[2-[[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930523
3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 80585796
3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one
CID 126930558
3-[2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930534
N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 126930312
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 126917028
3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
CID 126930570
3-[2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930411

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide (CID 126930391) is 3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCC1CCCCN1c1ccc(=O)[nH]n1.
What is the InChIKey of 3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is YBLCKQAEYUAHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-10-15(11(2)18-17-10)25(23,24)16-9-12-5-3-4-8-21(12)13-6-7-14(22)20-19-13/h6-7,12,16H,3-5,8-9H2,1-2H3,(H,17,18)(H,20,22).
What are the key properties of 3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 366.45 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 126930391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).