N-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide

C8H15N3O2S — CID 47267292

IUPACN-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)CN(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H15N3O2S/c1-7(2)6-11(3)14(12,13)8-4-9-10-5-8/h4-5,7H,6H2,1-3H3,(H,9,10)
InChIKeyGOELGFZPXUFGKV-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.69
Rot. Bonds4

About N-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide

N-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47267292) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide
PubChem CID47267292
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)CN(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H15N3O2S/c1-7(2)6-11(3)14(12,13)8-4-9-10-5-8/h4-5,7H,6H2,1-3H3,(H,9,10)
InChIKeyGOELGFZPXUFGKV-UHFFFAOYSA-N
XLogP0.69
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide (CID 47267292) is N-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide is CC(C)CN(C)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is GOELGFZPXUFGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-7(2)6-11(3)14(12,13)8-4-9-10-5-8/h4-5,7H,6H2,1-3H3,(H,9,10).
What are the key properties of N-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide?
N-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).