4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol

C22H21F3N2O — CID 59492537

IUPAC4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
SMILESCC(C)(C)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C22H21F3N2O/c1-20(2,3)13-27-12-14(11-26-27)15-8-6-10-18-19(15)16-7-4-5-9-17(16)21(18,28)22(23,24)25/h4-12,28H,13H2,1-3H3
InChIKeyGSBIVRAXUMKPCG-UHFFFAOYSA-N
MW386.42 g/mol
LogP5.37
Rot. Bonds2

About 4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol

4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492537) has the molecular formula C22H21F3N2O and a molecular weight of 386.42 g/mol. Its IUPAC name is 4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492537
Molecular FormulaC22H21F3N2O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
SMILESCC(C)(C)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C22H21F3N2O/c1-20(2,3)13-27-12-14(11-26-27)15-8-6-10-18-19(15)16-7-4-5-9-17(16)21(18,28)22(23,24)25/h4-12,28H,13H2,1-3H3
InChIKeyGSBIVRAXUMKPCG-UHFFFAOYSA-N
XLogP5.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.42
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-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
(+)-2-[4-(2-fluoro-9-hydroxy-9-trifluoromethyl-9H-fluoren-4-yl)-pyrazol-1-yl]-2-hydroxymethyl-propane-1,3-diol
CID 46191677

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol (CID 59492537) is 4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol is CC(C)(C)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of 4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is GSBIVRAXUMKPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O/c1-20(2,3)13-27-12-14(11-26-27)15-8-6-10-18-19(15)16-7-4-5-9-17(16)21(18,28)22(23,24)25/h4-12,28H,13H2,1-3H3.
What are the key properties of 4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 386.42 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).