1-[1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C20H27N5OS — CID 126948332

About 1-[1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

1-[1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126948332) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is 1-[1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• PubChem CID: 126948332
• Molecular Formula: C20H27N5OS
• Molecular Weight: 385.54 g/mol
• Exact Mass: 385.19
• IUPAC Name: 1-[1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• SMILES: O=C1CCCN1c1cnn(C2CCN(Cc3csc(C4CCCC4)n3)C2)c1
• InChI: InChI=1S/C20H27N5OS/c26-19-6-3-8-24(19)18-10-21-25(13-18)17-7-9-23(12-17)11-16-14-27-20(22-16)15-4-1-2-5-15/h10,13-15,17H,1-9,11-12H2
• InChIKey: FLHQGRXRDZBJFA-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 54.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.54
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The IUPAC name of 1-[1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126948332) is 1-[1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-[1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The canonical SMILES for 1-[1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is O=C1CCCN1c1cnn(C2CCN(Cc3csc(C4CCCC4)n3)C2)c1.

What is the InChIKey of 1-[1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The InChIKey is FLHQGRXRDZBJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c26-19-6-3-8-24(19)18-10-21-25(13-18)17-7-9-23(12-17)11-16-14-27-20(22-16)15-4-1-2-5-15/h10,13-15,17H,1-9,11-12H2.

What are the key properties of 1-[1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

1-[1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 385.54 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126948332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).