5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide

C9H14N6O3S — CID 106411035

IUPAC5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)NCc1ncon1
InChIInChI=1S/C9H14N6O3S/c1-6-9(7(3-10-2)14-13-6)19(16,17)12-4-8-11-5-18-15-8/h5,10,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyKXGXJMITWCHRAJ-UHFFFAOYSA-N
MW286.32 g/mol
LogP-0.70
Rot. Bonds6

About 5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide

5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 106411035) has the molecular formula C9H14N6O3S and a molecular weight of 286.32 g/mol. Its IUPAC name is 5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID106411035
Molecular FormulaC9H14N6O3S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC Name5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)NCc1ncon1
InChIInChI=1S/C9H14N6O3S/c1-6-9(7(3-10-2)14-13-6)19(16,17)12-4-8-11-5-18-15-8/h5,10,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyKXGXJMITWCHRAJ-UHFFFAOYSA-N
XLogP-0.70
TPSA125.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106410953
3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106410874
5-methyl-3-(methylaminomethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 107649220
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
5-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 106076387
5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106089441
5-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide
CID 106093156
5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 106411040
4-methyl-5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 106410852
5-methyl-3-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)-1H-pyrazole-4-sulfonamide
CID 106081725
5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
CID 106088574

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 106411035) is 5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide is CNCc1n[nH]c(C)c1S(=O)(=O)NCc1ncon1.
What is the InChIKey of 5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is KXGXJMITWCHRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O3S/c1-6-9(7(3-10-2)14-13-6)19(16,17)12-4-8-11-5-18-15-8/h5,10,12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 286.32 g/mol, XLogP of -0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106411035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).