4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol

C18H13F3N2O — CID 59492674

IUPAC4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C18H13F3N2O/c1-23-10-11(9-22-23)12-6-4-8-15-16(12)13-5-2-3-7-14(13)17(15,24)18(19,20)21/h2-10,24H,1H3
InChIKeyBEINOJSOCXJQMT-UHFFFAOYSA-N
MW330.31 g/mol
LogP3.87
Rot. Bonds1

About 4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol

4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492674) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492674
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C18H13F3N2O/c1-23-10-11(9-22-23)12-6-4-8-15-16(12)13-5-2-3-7-14(13)17(15,24)18(19,20)21/h2-10,24H,1H3
InChIKeyBEINOJSOCXJQMT-UHFFFAOYSA-N
XLogP3.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 53.87
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-(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-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol (CID 59492674) is 4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol is Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is BEINOJSOCXJQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c1-23-10-11(9-22-23)12-6-4-8-15-16(12)13-5-2-3-7-14(13)17(15,24)18(19,20)21/h2-10,24H,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol?
4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 330.31 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).