2-ethyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide

C18H23N3O2S — CID 756284

IUPAC2-ethyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
SMILESCCC(CC)C(=O)Nc1c2c(nn1-c1ccc(C)cc1)CS(=O)C2
InChIInChI=1S/C18H23N3O2S/c1-4-13(5-2)18(22)19-17-15-10-24(23)11-16(15)20-21(17)14-8-6-12(3)7-9-14/h6-9,13H,4-5,10-11H2,1-3H3,(H,19,22)
InChIKeyJVQOMZKHHJUDML-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.32
Rot. Bonds5

About 2-ethyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide

2-ethyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide (PubChem CID 756284) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
PubChem CID756284
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-ethyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
SMILESCCC(CC)C(=O)Nc1c2c(nn1-c1ccc(C)cc1)CS(=O)C2
InChIInChI=1S/C18H23N3O2S/c1-4-13(5-2)18(22)19-17-15-10-24(23)11-16(15)20-21(17)14-8-6-12(3)7-9-14/h6-9,13H,4-5,10-11H2,1-3H3,(H,19,22)
InChIKeyJVQOMZKHHJUDML-UHFFFAOYSA-N
XLogP3.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide (CID 756284) is 2-ethyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide is CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(C)cc1)CS(=O)C2.
What is the InChIKey of 2-ethyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide?
The InChIKey is JVQOMZKHHJUDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-4-13(5-2)18(22)19-17-15-10-24(23)11-16(15)20-21(17)14-8-6-12(3)7-9-14/h6-9,13H,4-5,10-11H2,1-3H3,(H,19,22).
What are the key properties of 2-ethyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide?
2-ethyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide has a molecular weight of 345.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide is sourced from PubChem (CID 756284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).