1-[1-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C18H23N5OS — CID 126948387

About 1-[1-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

1-[1-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126948387) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-[1-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• PubChem CID: 126948387
• Molecular Formula: C18H23N5OS
• Molecular Weight: 357.48 g/mol
• Exact Mass: 357.16
• IUPAC Name: 1-[1-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• SMILES: O=C1CCCN1c1cnn(C2CCN(Cc3cnc(C4CC4)s3)C2)c1
• InChI: InChI=1S/C18H23N5OS/c24-17-2-1-6-22(17)15-8-20-23(11-15)14-5-7-21(10-14)12-16-9-19-18(25-16)13-3-4-13/h8-9,11,13-14H,1-7,10,12H2
• InChIKey: RWZFIOSIHNDKLF-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 54.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.48
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The IUPAC name of 1-[1-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126948387) is 1-[1-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-[1-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The canonical SMILES for 1-[1-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is O=C1CCCN1c1cnn(C2CCN(Cc3cnc(C4CC4)s3)C2)c1.

What is the InChIKey of 1-[1-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The InChIKey is RWZFIOSIHNDKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c24-17-2-1-6-22(17)15-8-20-23(11-15)14-5-7-21(10-14)12-16-9-19-18(25-16)13-3-4-13/h8-9,11,13-14H,1-7,10,12H2.

What are the key properties of 1-[1-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

1-[1-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 357.48 g/mol, XLogP of 2.79, 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-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126948387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).