4-(1-propan-2-ylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol

C20H17F3N2O — CID 59492602

IUPAC4-(1-propan-2-ylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCC(C)n1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C20H17F3N2O/c1-12(2)25-11-13(10-24-25)14-7-5-9-17-18(14)15-6-3-4-8-16(15)19(17,26)20(21,22)23/h3-12,26H,1-2H3
InChIKeyOKXYKTBGPQYZHZ-UHFFFAOYSA-N
MW358.36 g/mol
LogP4.91
Rot. Bonds2

About 4-(1-propan-2-ylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol

4-(1-propan-2-ylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492602) has the molecular formula C20H17F3N2O and a molecular weight of 358.36 g/mol. Its IUPAC name is 4-(1-propan-2-ylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-(1-propan-2-ylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492602
Molecular FormulaC20H17F3N2O
Molecular Weight358.36 g/mol
Exact Mass358.13
IUPAC Name4-(1-propan-2-ylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCC(C)n1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C20H17F3N2O/c1-12(2)25-11-13(10-24-25)14-7-5-9-17-18(14)15-6-3-4-8-16(15)19(17,26)20(21,22)23/h3-12,26H,1-2H3
InChIKeyOKXYKTBGPQYZHZ-UHFFFAOYSA-N
XLogP4.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 54.91
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-(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 4-(1-propan-2-ylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-(1-propan-2-ylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol (CID 59492602) is 4-(1-propan-2-ylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-(1-propan-2-ylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-(1-propan-2-ylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol is CC(C)n1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of 4-(1-propan-2-ylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is OKXYKTBGPQYZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O/c1-12(2)25-11-13(10-24-25)14-7-5-9-17-18(14)15-6-3-4-8-16(15)19(17,26)20(21,22)23/h3-12,26H,1-2H3.
What are the key properties of 4-(1-propan-2-ylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol?
4-(1-propan-2-ylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 358.36 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-ylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).