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

C12H19N3O2S — CID 756253

IUPACN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide
SMILESCCC(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)C2
InChIInChI=1S/C12H19N3O2S/c1-5-10(16)13-11-8-6-18(17)7-9(8)14-15(11)12(2,3)4/h5-7H2,1-4H3,(H,13,16)
InChIKeyGITYXUIYYKKHHC-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.75
Rot. Bonds2

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

N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide (PubChem CID 756253) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide
PubChem CID756253
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide
SMILESCCC(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)C2
InChIInChI=1S/C12H19N3O2S/c1-5-10(16)13-11-8-6-18(17)7-9(8)14-15(11)12(2,3)4/h5-7H2,1-4H3,(H,13,16)
InChIKeyGITYXUIYYKKHHC-UHFFFAOYSA-N
XLogP1.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.75
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)propanamide?
The IUPAC name of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide (CID 756253) is N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide.
What is the SMILES notation for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide?
The canonical SMILES for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide is CCC(=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)propanamide?
The InChIKey is GITYXUIYYKKHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-5-10(16)13-11-8-6-18(17)7-9(8)14-15(11)12(2,3)4/h5-7H2,1-4H3,(H,13,16).
What are the key properties of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide?
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide has a molecular weight of 269.37 g/mol, XLogP of 1.75, 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)propanamide is sourced from PubChem (CID 756253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).