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

C17H21N5OS — CID 126945310

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

1-[1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126945310) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 1-[1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• PubChem CID: 126945310
• Molecular Formula: C17H21N5OS
• Molecular Weight: 343.46 g/mol
• Exact Mass: 343.15
• IUPAC Name: 1-[1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• SMILES: O=C1CCCN1c1cnn(C2CN(Cc3csc(C4CC4)n3)C2)c1
• InChI: InChI=1S/C17H21N5OS/c23-16-2-1-5-21(16)14-6-18-22(10-14)15-8-20(9-15)7-13-11-24-17(19-13)12-3-4-12/h6,10-12,15H,1-5,7-9H2
• InChIKey: SYDUSMUGRBUOOB-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 54.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.46
LogP ≤ 5	2.40
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-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The IUPAC name of 1-[1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126945310) is 1-[1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

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

The canonical SMILES for 1-[1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is O=C1CCCN1c1cnn(C2CN(Cc3csc(C4CC4)n3)C2)c1.

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

The InChIKey is SYDUSMUGRBUOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c23-16-2-1-5-21(16)14-6-18-22(10-14)15-8-20(9-15)7-13-11-24-17(19-13)12-3-4-12/h6,10-12,15H,1-5,7-9H2.

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

1-[1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 343.46 g/mol, XLogP of 2.40, 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-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126945310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).