1-[2-(methylamino)ethyl]-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide

C12H17N5O2S — CID 106086969

IUPAC1-[2-(methylamino)ethyl]-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)Nc2cccc(C)n2)cn1
InChIInChI=1S/C12H17N5O2S/c1-10-4-3-5-12(15-10)16-20(18,19)11-8-14-17(9-11)7-6-13-2/h3-5,8-9,13H,6-7H2,1-2H3,(H,15,16)
InChIKeyKRMJOXLJBKLRMV-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.61
Rot. Bonds6

About 1-[2-(methylamino)ethyl]-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide

1-[2-(methylamino)ethyl]-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide (PubChem CID 106086969) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-[2-(methylamino)ethyl]-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(methylamino)ethyl]-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
PubChem CID106086969
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name1-[2-(methylamino)ethyl]-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)Nc2cccc(C)n2)cn1
InChIInChI=1S/C12H17N5O2S/c1-10-4-3-5-12(15-10)16-20(18,19)11-8-14-17(9-11)7-6-13-2/h3-5,8-9,13H,6-7H2,1-2H3,(H,15,16)
InChIKeyKRMJOXLJBKLRMV-UHFFFAOYSA-N
XLogP0.61
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 106086842
N-(5-bromo-6-methyl-2-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106070412
N-(3-fluoro-2-methylphenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106018448
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106054788
N-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106059980
1-[3-(methylamino)propyl]-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-sulfonamide
CID 106081763
N-(4-fluoro-2-iodophenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106071507
N-(cyclobutylmethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114138246
5-(aminomethyl)-1-methyl-N-(6-methyl-2-pyridinyl)pyrrole-3-sulfonamide
CID 106086845
4-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 3857714
1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028775
N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106035138

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethyl]-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[2-(methylamino)ethyl]-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide (CID 106086969) is 1-[2-(methylamino)ethyl]-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(methylamino)ethyl]-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[2-(methylamino)ethyl]-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide is CNCCn1cc(S(=O)(=O)Nc2cccc(C)n2)cn1.
What is the InChIKey of 1-[2-(methylamino)ethyl]-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide?
The InChIKey is KRMJOXLJBKLRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-10-4-3-5-12(15-10)16-20(18,19)11-8-14-17(9-11)7-6-13-2/h3-5,8-9,13H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 1-[2-(methylamino)ethyl]-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide?
1-[2-(methylamino)ethyl]-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethyl]-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106086969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).