3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide

C₁₇H₂₁N₃O₃S — CID 134713578

About 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide

3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide (PubChem CID 134713578) has the molecular formula C₁₇H₂₁N₃O₃S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide.

Molecular Properties

• Compound Name: 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
• PubChem CID: 134713578
• Molecular Formula: C₁₇H₂₁N₃O₃S
• Molecular Weight: 347.44 g/mol
• Exact Mass: 347.13
• IUPAC Name: 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
• SMILES: CCOc1ccc(C(=O)Nc2c3c(nn2C)CSC3)cc1OCC
• InChI: InChI=1S/C17H21N3O3S/c1-4-22-14-7-6-11(8-15(14)23-5-2)17(21)18-16-12-9-24-10-13(12)19-20(16)3/h6-8H,4-5,9-10H2,1-3H3,(H,18,21)
• InChIKey: QYLVACGMEIZAEC-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.44
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide?

The IUPAC name of 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide (CID 134713578) is 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide.

What is the SMILES notation for 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide?

The canonical SMILES for 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide is CCOc1ccc(C(=O)Nc2c3c(nn2C)CSC3)cc1OCC.

What is the InChIKey of 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide?

The InChIKey is QYLVACGMEIZAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-4-22-14-7-6-11(8-15(14)23-5-2)17(21)18-16-12-9-24-10-13(12)19-20(16)3/h6-8H,4-5,9-10H2,1-3H3,(H,18,21).

What are the key properties of 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide?

3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide has a molecular weight of 347.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide is sourced from PubChem (CID 134713578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134713578 — identifiers, structure, computed properties (public domain)

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