1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one

C25H24F3N3O4 — CID 59493033

About 1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one

1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 59493033) has the molecular formula C25H24F3N3O4 and a molecular weight of 487.48 g/mol. Its IUPAC name is 1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
• PubChem CID: 59493033
• Molecular Formula: C25H24F3N3O4
• Molecular Weight: 487.48 g/mol
• Exact Mass: 487.17
• IUPAC Name: 1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
• SMILES: O=C1CCCN1CCOc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
• InChI: InChI=1S/C25H24F3N3O4/c26-25(27,28)24(34)20-5-2-1-4-18(20)23-19(16-14-29-31(15-16)8-10-32)12-17(13-21(23)24)35-11-9-30-7-3-6-22(30)33/h1-2,4-5,12-15,32,34H,3,6-11H2
• InChIKey: LHHPUZVDHKXNCW-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 87.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.48
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one?

The IUPAC name of 1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one (CID 59493033) is 1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one?

The canonical SMILES for 1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one is O=C1CCCN1CCOc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.

What is the InChIKey of 1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one?

The InChIKey is LHHPUZVDHKXNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O4/c26-25(27,28)24(34)20-5-2-1-4-18(20)23-19(16-14-29-31(15-16)8-10-32)12-17(13-21(23)24)35-11-9-30-7-3-6-22(30)33/h1-2,4-5,12-15,32,34H,3,6-11H2.

What are the key properties of 1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one?

1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 487.48 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 59493033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).