1-ethyl-4-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one

C19H22F3N5O2 — CID 110238602

About 1-ethyl-4-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one

1-ethyl-4-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 110238602) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is 1-ethyl-4-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-ethyl-4-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
• PubChem CID: 110238602
• Molecular Formula: C19H22F3N5O2
• Molecular Weight: 409.41 g/mol
• Exact Mass: 409.17
• IUPAC Name: 1-ethyl-4-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
• SMILES: CCN1CC(C(=O)N2CCC(c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)CC1=O
• InChI: InChI=1S/C19H22F3N5O2/c1-3-25-10-13(7-17(25)28)18(29)26-5-4-12(9-26)14-8-16-23-11(2)6-15(19(20,21)22)27(16)24-14/h6,8,12-13H,3-5,7,9-10H2,1-2H3
• InChIKey: RITJPSQYHJHUQM-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 70.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.41
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?

The IUPAC name of 1-ethyl-4-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 110238602) is 1-ethyl-4-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one.

What is the SMILES notation for 1-ethyl-4-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?

The canonical SMILES for 1-ethyl-4-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one is CCN1CC(C(=O)N2CCC(c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)CC1=O.

What is the InChIKey of 1-ethyl-4-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?

The InChIKey is RITJPSQYHJHUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O2/c1-3-25-10-13(7-17(25)28)18(29)26-5-4-12(9-26)14-8-16-23-11(2)6-15(19(20,21)22)27(16)24-14/h6,8,12-13H,3-5,7,9-10H2,1-2H3.

What are the key properties of 1-ethyl-4-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?

1-ethyl-4-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 409.41 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-4-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 110238602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).