5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one

C23H21F3N2O2 — CID 71164723

IUPAC5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one
SMILESCC(=O)CCCn1cc(-c2cc(C)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1
InChIInChI=1S/C23H21F3N2O2/c1-14-10-18(16-12-27-28(13-16)9-5-6-15(2)29)21-17-7-3-4-8-19(17)22(30,20(21)11-14)23(24,25)26/h3-4,7-8,10-13,30H,5-6,9H2,1-2H3/t22-/m1/s1
InChIKeyGLBCWUPOYIXXMH-JOCHJYFZSA-N
MW414.43 g/mol
LogP5.01
Rot. Bonds5

About 5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one

5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one (PubChem CID 71164723) has the molecular formula C23H21F3N2O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is 5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one.

Molecular Properties

Compound Name5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one
PubChem CID71164723
Molecular FormulaC23H21F3N2O2
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC Name5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one
SMILESCC(=O)CCCn1cc(-c2cc(C)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1
InChIInChI=1S/C23H21F3N2O2/c1-14-10-18(16-12-27-28(13-16)9-5-6-15(2)29)21-17-7-3-4-8-19(17)22(30,20(21)11-14)23(24,25)26/h3-4,7-8,10-13,30H,5-6,9H2,1-2H3/t22-/m1/s1
InChIKeyGLBCWUPOYIXXMH-JOCHJYFZSA-N
XLogP5.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Fluoro-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 46191560
Pdhk-IN-7
CID 46191615
2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide
CID 59492521
4-[1-(2,2-Dimethylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492537
4-(1-Methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492674
4-[1-(2-Hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492860
2-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropane-1,3-diol
CID 46190787
2-(Hydroxymethyl)-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol
CID 46190788
(+)-3-[4-(9-hydroxy-2-methyl-9-trifluoromethyl-9H-fluoren-4-yl)-pyrazol-1-yl]-propionic acid
CID 46191561
(+)-4-[4-(9-hydroxy-2-methyl-9-trifluoromethyl-9H-fluoren-4-yl)-pyrazol-1-yl]-butyric acid
CID 46191616
(+)-2-[4-(2-fluoro-9-hydroxy-9-trifluoromethyl-9H-fluoren-4-yl)-pyrazol-1-yl]-propane-1,3-diol
CID 46191617
(+)-2-hydroxymethyl-2-[4-(9-hydroxy-2-methyl-9-trifluoromethyl-9H-fluoren-4-yl)-pyrazol-1-yl]-propane-1,3-diol
CID 46191618

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one?
The IUPAC name of 5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one (CID 71164723) is 5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one.
What is the SMILES notation for 5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one?
The canonical SMILES for 5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one is CC(=O)CCCn1cc(-c2cc(C)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1.
What is the InChIKey of 5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one?
The InChIKey is GLBCWUPOYIXXMH-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H21F3N2O2/c1-14-10-18(16-12-27-28(13-16)9-5-6-15(2)29)21-17-7-3-4-8-19(17)22(30,20(21)11-14)23(24,25)26/h3-4,7-8,10-13,30H,5-6,9H2,1-2H3/t22-/m1/s1.
What are the key properties of 5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one?
5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one has a molecular weight of 414.43 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one is sourced from PubChem (CID 71164723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).