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

C10H16N6O2S — CID 60808279

IUPAC3-amino-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-sulfonamide
SMILESCC(C)n1nccc1NS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C10H16N6O2S/c1-7(2)16-9(4-5-12-16)14-19(17,18)8-6-15(3)13-10(8)11/h4-7,14H,1-3H3,(H2,11,13)
InChIKeyBXGMXVALEDRPRA-UHFFFAOYSA-N
MW284.35 g/mol
LogP0.58
Rot. Bonds4

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

3-amino-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-sulfonamide (PubChem CID 60808279) has the molecular formula C10H16N6O2S and a molecular weight of 284.35 g/mol. Its IUPAC name is 3-amino-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-sulfonamide
PubChem CID60808279
Molecular FormulaC10H16N6O2S
Molecular Weight284.35 g/mol
Exact Mass284.11
IUPAC Name3-amino-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-sulfonamide
SMILESCC(C)n1nccc1NS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C10H16N6O2S/c1-7(2)16-9(4-5-12-16)14-19(17,18)8-6-15(3)13-10(8)11/h4-7,14H,1-3H3,(H2,11,13)
InChIKeyBXGMXVALEDRPRA-UHFFFAOYSA-N
XLogP0.58
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 60810421
3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60813860
3-amino-N-(2,5-dibromophenyl)-1-methylpyrazole-4-sulfonamide
CID 61466411
5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62803072
5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63327974
4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 60809576
4-cyano-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 24708299
3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 43107586
3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 60813866
3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
CID 60809582

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-sulfonamide (CID 60808279) is 3-amino-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-sulfonamide is CC(C)n1nccc1NS(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-sulfonamide?
The InChIKey is BXGMXVALEDRPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-7(2)16-9(4-5-12-16)14-19(17,18)8-6-15(3)13-10(8)11/h4-7,14H,1-3H3,(H2,11,13).
What are the key properties of 3-amino-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-sulfonamide?
3-amino-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-sulfonamide has a molecular weight of 284.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 60808279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).