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

C13H21N3O2S — CID 756259

IUPACN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)C2
InChIInChI=1S/C13H21N3O2S/c1-8(2)12(17)14-11-9-6-19(18)7-10(9)15-16(11)13(3,4)5/h8H,6-7H2,1-5H3,(H,14,17)
InChIKeyDBSRRFMTUGPCDR-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.99
Rot. Bonds2

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

N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylpropanamide (PubChem CID 756259) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylpropanamide
PubChem CID756259
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)C2
InChIInChI=1S/C13H21N3O2S/c1-8(2)12(17)14-11-9-6-19(18)7-10(9)15-16(11)13(3,4)5/h8H,6-7H2,1-5H3,(H,14,17)
InChIKeyDBSRRFMTUGPCDR-UHFFFAOYSA-N
XLogP1.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.99
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-methylpropanamide?
The IUPAC name of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylpropanamide (CID 756259) is N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylpropanamide?
The canonical SMILES for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylpropanamide is CC(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-methylpropanamide?
The InChIKey is DBSRRFMTUGPCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-8(2)12(17)14-11-9-6-19(18)7-10(9)15-16(11)13(3,4)5/h8H,6-7H2,1-5H3,(H,14,17).
What are the key properties of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylpropanamide?
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylpropanamide has a molecular weight of 283.40 g/mol, XLogP of 1.99, 2 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-methylpropanamide is sourced from PubChem (CID 756259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).