5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide

C11H18N6O2S — CID 106064978

IUPAC5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide
SMILESCNCc1c(S(=O)(=O)NCc2ccnn2C)n[nH]c1C
InChIInChI=1S/C11H18N6O2S/c1-8-10(7-12-2)11(16-15-8)20(18,19)14-6-9-4-5-13-17(9)3/h4-5,12,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyLUPIPJBWVZVAIX-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.35
Rot. Bonds6

About 5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide

5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide (PubChem CID 106064978) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide
PubChem CID106064978
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC Name5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide
SMILESCNCc1c(S(=O)(=O)NCc2ccnn2C)n[nH]c1C
InChIInChI=1S/C11H18N6O2S/c1-8-10(7-12-2)11(16-15-8)20(18,19)14-6-9-4-5-13-17(9)3/h4-5,12,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyLUPIPJBWVZVAIX-UHFFFAOYSA-N
XLogP-0.35
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106077187
2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 106065065
5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106052878
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 61068870
N-(2-ethoxyethyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 114137677
1-ethyl-5-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-sulfonamide
CID 106065070
5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide
CID 106049895
N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 47372067
N-(3-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106089266
N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106066522
5-methyl-4-(methylaminomethyl)-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106078547
N-(2-chloro-6-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106070674

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide?
The IUPAC name of 5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide (CID 106064978) is 5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide is CNCc1c(S(=O)(=O)NCc2ccnn2C)n[nH]c1C.
What is the InChIKey of 5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide?
The InChIKey is LUPIPJBWVZVAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-8-10(7-12-2)11(16-15-8)20(18,19)14-6-9-4-5-13-17(9)3/h4-5,12,14H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide?
5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106064978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).