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

C21H27N3O2S — CID 2160208

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

3-cyclopentyl-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide (PubChem CID 2160208) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
• PubChem CID: 2160208
• Molecular Formula: C21H27N3O2S
• Molecular Weight: 385.53 g/mol
• Exact Mass: 385.18
• IUPAC Name: 3-cyclopentyl-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
• SMILES: Cc1cccc(-n2nc3c(c2NC(=O)CCC2CCCC2)CS(=O)C3)c1C
• InChI: InChI=1S/C21H27N3O2S/c1-14-6-5-9-19(15(14)2)24-21(17-12-27(26)13-18(17)23-24)22-20(25)11-10-16-7-3-4-8-16/h5-6,9,16H,3-4,7-8,10-13H2,1-2H3,(H,22,25)
• InChIKey: QICJXKOTNYWRPC-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.53
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?

The IUPAC name of 3-cyclopentyl-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide (CID 2160208) is 3-cyclopentyl-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide.

What is the SMILES notation for 3-cyclopentyl-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?

The canonical SMILES for 3-cyclopentyl-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide is Cc1cccc(-n2nc3c(c2NC(=O)CCC2CCCC2)CS(=O)C3)c1C.

What is the InChIKey of 3-cyclopentyl-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?

The InChIKey is QICJXKOTNYWRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-14-6-5-9-19(15(14)2)24-21(17-12-27(26)13-18(17)23-24)22-20(25)11-10-16-7-3-4-8-16/h5-6,9,16H,3-4,7-8,10-13H2,1-2H3,(H,22,25).

What are the key properties of 3-cyclopentyl-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?

3-cyclopentyl-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide has a molecular weight of 385.53 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide is sourced from PubChem (CID 2160208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).