5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide

C11H16N6O2S — CID 106089441

IUPAC5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C11H16N6O2S/c1-8-11(10(7-12-2)17-15-8)20(18,19)14-6-9-4-3-5-13-16-9/h3-5,12,14H,6-7H2,1-2H3,(H,15,17)
InChIKeyFVARBTRWGLLAEX-UHFFFAOYSA-N
MW296.36 g/mol
LogP-0.29
Rot. Bonds6

About 5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide

5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 106089441) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is 5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID106089441
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC Name5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C11H16N6O2S/c1-8-11(10(7-12-2)17-15-8)20(18,19)14-6-9-4-3-5-13-16-9/h3-5,12,14H,6-7H2,1-2H3,(H,15,17)
InChIKeyFVARBTRWGLLAEX-UHFFFAOYSA-N
XLogP-0.29
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3-(methylaminomethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 107649220
5-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 106076387
2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
CID 106089517
4-(aminomethyl)-5-methyl-N-(pyridazin-3-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106089524
5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide
CID 106032980
5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106411035
N-[2-(dimethylamino)ethyl]-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106032316
N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide
CID 106074682
6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894668
2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
CID 106089523
5-methyl-3-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-4-sulfonamide
CID 106076996
N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106897420

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 106089441) is 5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide is CNCc1n[nH]c(C)c1S(=O)(=O)NCc1cccnn1.
What is the InChIKey of 5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is FVARBTRWGLLAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c1-8-11(10(7-12-2)17-15-8)20(18,19)14-6-9-4-3-5-13-16-9/h3-5,12,14H,6-7H2,1-2H3,(H,15,17).
What are the key properties of 5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 296.36 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106089441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).