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

C24H22F3N3O3 — CID 59492983

IUPAC1-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
SMILESCn1cc(-c2cc(OCCN3CCCC3=O)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C24H22F3N3O3/c1-29-14-15(13-28-29)18-11-16(33-10-9-30-8-4-7-21(30)31)12-20-22(18)17-5-2-3-6-19(17)23(20,32)24(25,26)27/h2-3,5-6,11-14,32H,4,7-10H2,1H3
InChIKeyXIAUEHZJYJILSR-UHFFFAOYSA-N
MW457.45 g/mol
LogP3.87
Rot. Bonds5

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

1-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 59492983) has the molecular formula C24H22F3N3O3 and a molecular weight of 457.45 g/mol. Its IUPAC name is 1-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
PubChem CID59492983
Molecular FormulaC24H22F3N3O3
Molecular Weight457.45 g/mol
Exact Mass457.16
IUPAC Name1-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
SMILESCn1cc(-c2cc(OCCN3CCCC3=O)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C24H22F3N3O3/c1-29-14-15(13-28-29)18-11-16(33-10-9-30-8-4-7-21(30)31)12-20-22(18)17-5-2-3-6-19(17)23(20,32)24(25,26)27/h2-3,5-6,11-14,32H,4,7-10H2,1H3
InChIKeyXIAUEHZJYJILSR-UHFFFAOYSA-N
XLogP3.87
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
CID 59493033
2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylacetamide
CID 59492632
1-[4-(hydroxymethyl)piperidin-1-yl]-2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethanone
CID 59492616
N-[(2R)-2-hydroxy-3-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide
CID 59492831
2-[4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylpentoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanamide
CID 162543700
[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 59493108
[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 59493229
1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]imidazolidin-2-one
CID 59493105
4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-9-(trifluoromethyl)fluoren-9-ol
CID 46191615
1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-3-one
CID 162559119
2-(2,2-dimethylpropyl)-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492934
2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanoic acid
CID 59492526

Frequently Asked Questions

What is the IUPAC name of 1-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one (CID 59492983) is 1-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one is Cn1cc(-c2cc(OCCN3CCCC3=O)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of 1-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is XIAUEHZJYJILSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O3/c1-29-14-15(13-28-29)18-11-16(33-10-9-30-8-4-7-21(30)31)12-20-22(18)17-5-2-3-6-19(17)23(20,32)24(25,26)27/h2-3,5-6,11-14,32H,4,7-10H2,1H3.
What are the key properties of 1-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one?
1-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 457.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 59492983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).