[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone;2-hydroxypropane-1,2,3-tricarboxylic acid

C24H27F3N6O8 — CID 171670601

About [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone;2-hydroxypropane-1,2,3-tricarboxylic acid

[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 171670601) has the molecular formula C24H27F3N6O8 and a molecular weight of 584.51 g/mol. Its IUPAC name is [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

• Compound Name: [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone;2-hydroxypropane-1,2,3-tricarboxylic acid
• PubChem CID: 171670601
• Molecular Formula: C24H27F3N6O8
• Molecular Weight: 584.51 g/mol
• Exact Mass: 584.18
• IUPAC Name: [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone;2-hydroxypropane-1,2,3-tricarboxylic acid
• SMILES: CCc1cc(C(F)(F)F)n2nc(C3CCCN3C(=O)c3cnn(C)c3)cc2n1.O=C(O)CC(O)(CC(=O)O)C(=O)O
• InChI: InChI=1S/C18H19F3N6O.C6H8O7/c1-3-12-7-15(18(19,20)21)27-16(23-12)8-13(24-27)14-5-4-6-26(14)17(28)11-9-22-25(2)10-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-10,14H,3-6H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
• InChIKey: GARHVKVWESCYKL-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 200.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.51
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone;2-hydroxypropane-1,2,3-tricarboxylic acid?

The IUPAC name of [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 171670601) is [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone;2-hydroxypropane-1,2,3-tricarboxylic acid.

What is the SMILES notation for [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone;2-hydroxypropane-1,2,3-tricarboxylic acid?

The canonical SMILES for [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone;2-hydroxypropane-1,2,3-tricarboxylic acid is CCc1cc(C(F)(F)F)n2nc(C3CCCN3C(=O)c3cnn(C)c3)cc2n1.O=C(O)CC(O)(CC(=O)O)C(=O)O.

What is the InChIKey of [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone;2-hydroxypropane-1,2,3-tricarboxylic acid?

The InChIKey is GARHVKVWESCYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O.C6H8O7/c1-3-12-7-15(18(19,20)21)27-16(23-12)8-13(24-27)14-5-4-6-26(14)17(28)11-9-22-25(2)10-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-10,14H,3-6H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12).

What are the key properties of [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone;2-hydroxypropane-1,2,3-tricarboxylic acid?

[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 584.51 g/mol, XLogP of 1.77, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 171670601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).