5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide

C11H15N5O2S — CID 106032980

IUPAC5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C11H15N5O2S/c1-8-11(10(7-12-2)15-14-8)19(17,18)16-9-4-3-5-13-6-9/h3-6,12,16H,7H2,1-2H3,(H,14,15)
InChIKeyXWVBXNFJSHOSOB-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.63
Rot. Bonds5

About 5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide

5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide (PubChem CID 106032980) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide
PubChem CID106032980
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C11H15N5O2S/c1-8-11(10(7-12-2)15-14-8)19(17,18)16-9-4-3-5-13-6-9/h3-6,12,16H,7H2,1-2H3,(H,14,15)
InChIKeyXWVBXNFJSHOSOB-UHFFFAOYSA-N
XLogP0.63
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
CID 106088574
5-methyl-3-(methylaminomethyl)-N-(1H-pyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 114134468
N-(4-bromo-3-fluorophenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106067066
5-methyl-3-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)-1H-pyrazole-4-sulfonamide
CID 106081725
N-(2-methoxyphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106044765
N-(3-bromo-2-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106088134
5-methyl-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106089441
5-methyl-3-(methylaminomethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 107649220
N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide
CID 106074682
3-(aminomethyl)-5-methyl-N-(6-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 106073270
2,6-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 890470
3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 106088096

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide (CID 106032980) is 5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide is CNCc1n[nH]c(C)c1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of 5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide?
The InChIKey is XWVBXNFJSHOSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-8-11(10(7-12-2)15-14-8)19(17,18)16-9-4-3-5-13-6-9/h3-6,12,16H,7H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide?
5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106032980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).