N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide

C14H23N3O2S — CID 756269

IUPACN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)C2
InChIInChI=1S/C14H23N3O2S/c1-13(2,3)12(18)15-11-9-7-20(19)8-10(9)16-17(11)14(4,5)6/h7-8H2,1-6H3,(H,15,18)
InChIKeyZURSRBATUNLEQU-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.38
Rot. Bonds1

About N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide

N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide (PubChem CID 756269) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide
PubChem CID756269
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)C2
InChIInChI=1S/C14H23N3O2S/c1-13(2,3)12(18)15-11-9-7-20(19)8-10(9)16-17(11)14(4,5)6/h7-8H2,1-6H3,(H,15,18)
InChIKeyZURSRBATUNLEQU-UHFFFAOYSA-N
XLogP2.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide (CID 756269) is N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)C2.
What is the InChIKey of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide?
The InChIKey is ZURSRBATUNLEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-13(2,3)12(18)15-11-9-7-20(19)8-10(9)16-17(11)14(4,5)6/h7-8H2,1-6H3,(H,15,18).
What are the key properties of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide?
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide has a molecular weight of 297.42 g/mol, XLogP of 2.38, 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-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 756269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).