(5S)-5-[(2R)-2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one

C19H22F3N5O2 — CID 92580950

About (5S)-5-[(2R)-2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one

(5S)-5-[(2R)-2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 92580950) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is (5S)-5-[(2R)-2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5S)-5-[(2R)-2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
• PubChem CID: 92580950
• Molecular Formula: C19H22F3N5O2
• Molecular Weight: 409.41 g/mol
• Exact Mass: 409.17
• IUPAC Name: (5S)-5-[(2R)-2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
• SMILES: CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@@H]3CCC(=O)N3)cc2n1
• InChI: InChI=1S/C19H22F3N5O2/c1-10(2)12-8-15(19(20,21)22)27-16(23-12)9-13(25-27)14-4-3-7-26(14)18(29)11-5-6-17(28)24-11/h8-11,14H,3-7H2,1-2H3,(H,24,28)/t11-,14+/m0/s1
• InChIKey: QJUKFRPVJSYHNE-SMDDNHRTSA-N
• XLogP: 2.81
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• 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	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R)-2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?

The IUPAC name of (5S)-5-[(2R)-2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 92580950) is (5S)-5-[(2R)-2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one.

What is the SMILES notation for (5S)-5-[(2R)-2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?

The canonical SMILES for (5S)-5-[(2R)-2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one is CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@@H]3CCC(=O)N3)cc2n1.

What is the InChIKey of (5S)-5-[(2R)-2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?

The InChIKey is QJUKFRPVJSYHNE-SMDDNHRTSA-N. The full InChI is InChI=1S/C19H22F3N5O2/c1-10(2)12-8-15(19(20,21)22)27-16(23-12)9-13(25-27)14-4-3-7-26(14)18(29)11-5-6-17(28)24-11/h8-11,14H,3-7H2,1-2H3,(H,24,28)/t11-,14+/m0/s1.

What are the key properties of (5S)-5-[(2R)-2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?

(5S)-5-[(2R)-2-[5-propan-2-yl-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 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[(2R)-2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 92580950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).