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

C25H24F3N3O4 — CID 59493033

IUPAC1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=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
InChIKeyLHHPUZVDHKXNCW-UHFFFAOYSA-N
MW487.48 g/mol
LogP3.32
Rot. Bonds7

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 Name1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
PubChem CID59493033
Molecular FormulaC25H24F3N3O4
Molecular Weight487.48 g/mol
Exact Mass487.17
IUPAC Name1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=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
InChIKeyLHHPUZVDHKXNCW-UHFFFAOYSA-N
XLogP3.32
TPSA87.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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).