1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide

C11H17N5O2S — CID 146090333

IUPAC1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide
SMILESCC(C)c1nn(C)cc1NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C11H17N5O2S/c1-8(2)11-9(5-16(4)13-11)14-19(17,18)10-6-15(3)7-12-10/h5-8,14H,1-4H3
InChIKeyQGQXLUGJXMROGO-UHFFFAOYSA-N
MW283.36 g/mol
LogP1.08
Rot. Bonds4

About 1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide

1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide (PubChem CID 146090333) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide
PubChem CID146090333
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide
SMILESCC(C)c1nn(C)cc1NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C11H17N5O2S/c1-8(2)11-9(5-16(4)13-11)14-19(17,18)10-6-15(3)7-12-10/h5-8,14H,1-4H3
InChIKeyQGQXLUGJXMROGO-UHFFFAOYSA-N
XLogP1.08
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide (CID 146090333) is 1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide is CC(C)c1nn(C)cc1NS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of 1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide?
The InChIKey is QGQXLUGJXMROGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-8(2)11-9(5-16(4)13-11)14-19(17,18)10-6-15(3)7-12-10/h5-8,14H,1-4H3.
What are the key properties of 1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide?
1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide has a molecular weight of 283.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 146090333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).