[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate

C20H21N3O4 — CID 42308204

About [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate

[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate (PubChem CID 42308204) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate.

Molecular Properties

• Compound Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
• PubChem CID: 42308204
• Molecular Formula: C20H21N3O4
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.15
• IUPAC Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
• SMILES: Cc1cc(NC(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)n(C)n1
• InChI: InChI=1S/C20H21N3O4/c1-12-6-18(23(2)22-12)21-19(24)11-27-20(25)9-15-10-26-17-8-14-5-3-4-13(14)7-16(15)17/h6-8,10H,3-5,9,11H2,1-2H3,(H,21,24)
• InChIKey: KYNJOWYYDSTASI-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 86.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?

The IUPAC name of [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate (CID 42308204) is [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate.

What is the SMILES notation for [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?

The canonical SMILES for [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate is Cc1cc(NC(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)n(C)n1.

What is the InChIKey of [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?

The InChIKey is KYNJOWYYDSTASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-12-6-18(23(2)22-12)21-19(24)11-27-20(25)9-15-10-26-17-8-14-5-3-4-13(14)7-16(15)17/h6-8,10H,3-5,9,11H2,1-2H3,(H,21,24).

What are the key properties of [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?

[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate has a molecular weight of 367.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate is sourced from PubChem (CID 42308204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).