1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[2-(pyrrolidine-1-carbonyl)anilino]ethanone

C24H24N4O2S2 — CID 112801085

About 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[2-(pyrrolidine-1-carbonyl)anilino]ethanone

1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[2-(pyrrolidine-1-carbonyl)anilino]ethanone (PubChem CID 112801085) has the molecular formula C24H24N4O2S2 and a molecular weight of 464.62 g/mol. Its IUPAC name is 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[2-(pyrrolidine-1-carbonyl)anilino]ethanone.

Molecular Properties

• Compound Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[2-(pyrrolidine-1-carbonyl)anilino]ethanone
• PubChem CID: 112801085
• Molecular Formula: C24H24N4O2S2
• Molecular Weight: 464.62 g/mol
• Exact Mass: 464.13
• IUPAC Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[2-(pyrrolidine-1-carbonyl)anilino]ethanone
• SMILES: O=C(c1ccccc1NCC(=O)N1N=C(c2cccs2)CC1c1cccs1)N1CCCC1
• InChI: InChI=1S/C24H24N4O2S2/c29-23(16-25-18-8-2-1-7-17(18)24(30)27-11-3-4-12-27)28-20(22-10-6-14-32-22)15-19(26-28)21-9-5-13-31-21/h1-2,5-10,13-14,20,25H,3-4,11-12,15-16H2
• InChIKey: ZLSHUZBOMBWXKN-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 65.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.62
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[2-(pyrrolidine-1-carbonyl)anilino]ethanone?

The IUPAC name of 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[2-(pyrrolidine-1-carbonyl)anilino]ethanone (CID 112801085) is 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[2-(pyrrolidine-1-carbonyl)anilino]ethanone.

What is the SMILES notation for 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[2-(pyrrolidine-1-carbonyl)anilino]ethanone?

The canonical SMILES for 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[2-(pyrrolidine-1-carbonyl)anilino]ethanone is O=C(c1ccccc1NCC(=O)N1N=C(c2cccs2)CC1c1cccs1)N1CCCC1.

What is the InChIKey of 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[2-(pyrrolidine-1-carbonyl)anilino]ethanone?

The InChIKey is ZLSHUZBOMBWXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S2/c29-23(16-25-18-8-2-1-7-17(18)24(30)27-11-3-4-12-27)28-20(22-10-6-14-32-22)15-19(26-28)21-9-5-13-31-21/h1-2,5-10,13-14,20,25H,3-4,11-12,15-16H2.

What are the key properties of 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[2-(pyrrolidine-1-carbonyl)anilino]ethanone?

1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[2-(pyrrolidine-1-carbonyl)anilino]ethanone has a molecular weight of 464.62 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[2-(pyrrolidine-1-carbonyl)anilino]ethanone is sourced from PubChem (CID 112801085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).