N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide

C11H17N3OS — CID 5235427

IUPACN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
SMILESCC(=O)Nc1c2c(nn1C(C)(C)C)CSC2
InChIInChI=1S/C11H17N3OS/c1-7(15)12-10-8-5-16-6-9(8)13-14(10)11(2,3)4/h5-6H2,1-4H3,(H,12,15)
InChIKeyWNOQNZHAXWMQAZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.34
Rot. Bonds1

About N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide

N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide (PubChem CID 5235427) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
PubChem CID5235427
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
SMILESCC(=O)Nc1c2c(nn1C(C)(C)C)CSC2
InChIInChI=1S/C11H17N3OS/c1-7(15)12-10-8-5-16-6-9(8)13-14(10)11(2,3)4/h5-6H2,1-4H3,(H,12,15)
InChIKeyWNOQNZHAXWMQAZ-UHFFFAOYSA-N
XLogP2.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-Butyl-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-ylamine
CID 2049329
N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-cyclohexylacetamide
CID 756232
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)cyclopentanecarboxamide
CID 756233
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-cyclopentylpropanamide
CID 756238
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)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclohexanecarboxamide
CID 756297

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide (CID 5235427) is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide.
What is the SMILES notation for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The canonical SMILES for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide is CC(=O)Nc1c2c(nn1C(C)(C)C)CSC2.
What is the InChIKey of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The InChIKey is WNOQNZHAXWMQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7(15)12-10-8-5-16-6-9(8)13-14(10)11(2,3)4/h5-6H2,1-4H3,(H,12,15).
What are the key properties of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide has a molecular weight of 239.34 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 5235427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).