N-(5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide

C10H15N3O3S — CID 59050138

IUPACN-(5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
SMILESCC(=O)Nc1c2c(nn1C(C)C)CS(=O)(=O)C2
InChIInChI=1S/C10H15N3O3S/c1-6(2)13-10(11-7(3)14)8-4-17(15,16)5-9(8)12-13/h6H,4-5H2,1-3H3,(H,11,14)
InChIKeyRAFVCGLKPUVFOG-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.85
Rot. Bonds2

About N-(5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide

N-(5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide (PubChem CID 59050138) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
PubChem CID59050138
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN-(5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
SMILESCC(=O)Nc1c2c(nn1C(C)C)CS(=O)(=O)C2
InChIInChI=1S/C10H15N3O3S/c1-6(2)13-10(11-7(3)14)8-4-17(15,16)5-9(8)12-13/h6H,4-5H2,1-3H3,(H,11,14)
InChIKeyRAFVCGLKPUVFOG-UHFFFAOYSA-N
XLogP0.85
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide with MolForge

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Related Compounds

N-(2-(tert-butyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)propionamide
CID 3565915
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-methylbutanamide
CID 5096501
N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)propionamide
CID 756253
N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide
CID 756259
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide
CID 756269
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide
CID 756283
N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide
CID 756288
N-(2-(tert-butyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)butyramide
CID 3412016
N-(2-tert-butyl-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide
CID 4131919
N-(2-(tert-butyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)acetamide
CID 4202207
N-(2-(tert-butyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)pentanamide
CID 4225476
N-(2-(tert-butyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)pivalamide
CID 5094734

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The IUPAC name of N-(5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide (CID 59050138) is N-(5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide.
What is the SMILES notation for N-(5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The canonical SMILES for N-(5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide is CC(=O)Nc1c2c(nn1C(C)C)CS(=O)(=O)C2.
What is the InChIKey of N-(5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The InChIKey is RAFVCGLKPUVFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-6(2)13-10(11-7(3)14)8-4-17(15,16)5-9(8)12-13/h6H,4-5H2,1-3H3,(H,11,14).
What are the key properties of N-(5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
N-(5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide has a molecular weight of 257.31 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 59050138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).