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

C11H19N7O2S — CID 106076996

IUPAC5-methyl-3-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-4-sulfonamide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)NCCCn1ccnn1
InChIInChI=1S/C11H19N7O2S/c1-9-11(10(8-12-2)16-15-9)21(19,20)14-4-3-6-18-7-5-13-17-18/h5,7,12,14H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeyLQWRHKUTFYDVGQ-UHFFFAOYSA-N
MW313.39 g/mol
LogP-0.60
Rot. Bonds8

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

5-methyl-3-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-4-sulfonamide (PubChem CID 106076996) has the molecular formula C11H19N7O2S and a molecular weight of 313.39 g/mol. Its IUPAC name is 5-methyl-3-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-3-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-4-sulfonamide
PubChem CID106076996
Molecular FormulaC11H19N7O2S
Molecular Weight313.39 g/mol
Exact Mass313.13
IUPAC Name5-methyl-3-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-4-sulfonamide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)NCCCn1ccnn1
InChIInChI=1S/C11H19N7O2S/c1-9-11(10(8-12-2)16-15-9)21(19,20)14-4-3-6-18-7-5-13-17-18/h5,7,12,14H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeyLQWRHKUTFYDVGQ-UHFFFAOYSA-N
XLogP-0.60
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106077187
4-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-5-sulfonamide
CID 106077016
N-(3-butoxypropyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106080380
N-[2-(dimethylamino)ethyl]-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106032316
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-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 107649220
N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide
CID 106074682
3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide
CID 106077027
5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106411035
5-methyl-3-(methylaminomethyl)-N-(2-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 106073068
5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 106077162

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-3-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-4-sulfonamide (CID 106076996) is 5-methyl-3-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-3-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-3-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-4-sulfonamide is CNCc1n[nH]c(C)c1S(=O)(=O)NCCCn1ccnn1.
What is the InChIKey of 5-methyl-3-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is LQWRHKUTFYDVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7O2S/c1-9-11(10(8-12-2)16-15-9)21(19,20)14-4-3-6-18-7-5-13-17-18/h5,7,12,14H,3-4,6,8H2,1-2H3,(H,15,16).
What are the key properties of 5-methyl-3-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-4-sulfonamide?
5-methyl-3-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 313.39 g/mol, XLogP of -0.60, 8 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-[3-(triazol-1-yl)propyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106076996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).