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

C17H27N3O2S — CID 756238

IUPACN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-cyclopentylpropanamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)CCC1CCCC1)CS(=O)C2
InChIInChI=1S/C17H27N3O2S/c1-17(2,3)20-16(13-10-23(22)11-14(13)19-20)18-15(21)9-8-12-6-4-5-7-12/h12H,4-11H2,1-3H3,(H,18,21)
InChIKeyXEFKJQIVHYSFRE-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.31
Rot. Bonds4

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

N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-cyclopentylpropanamide (PubChem CID 756238) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-cyclopentylpropanamide
PubChem CID756238
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-cyclopentylpropanamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)CCC1CCCC1)CS(=O)C2
InChIInChI=1S/C17H27N3O2S/c1-17(2,3)20-16(13-10-23(22)11-14(13)19-20)18-15(21)9-8-12-6-4-5-7-12/h12H,4-11H2,1-3H3,(H,18,21)
InChIKeyXEFKJQIVHYSFRE-UHFFFAOYSA-N
XLogP3.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.31
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)-3-cyclopentylpropanamide?
The IUPAC name of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-cyclopentylpropanamide (CID 756238) is N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-cyclopentylpropanamide?
The canonical SMILES for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-cyclopentylpropanamide is CC(C)(C)n1nc2c(c1NC(=O)CCC1CCCC1)CS(=O)C2.
What is the InChIKey of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-cyclopentylpropanamide?
The InChIKey is XEFKJQIVHYSFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-17(2,3)20-16(13-10-23(22)11-14(13)19-20)18-15(21)9-8-12-6-4-5-7-12/h12H,4-11H2,1-3H3,(H,18,21).
What are the key properties of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-cyclopentylpropanamide?
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-cyclopentylpropanamide has a molecular weight of 337.49 g/mol, XLogP of 3.31, 4 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)-3-cyclopentylpropanamide is sourced from PubChem (CID 756238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).