4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-(2-methylpropyl)-9-(trifluoromethyl)fluoren-9-ol

C23H23F3N2O2 — CID 59493147

IUPAC4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-(2-methylpropyl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCC(C)Cc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C23H23F3N2O2/c1-14(2)9-15-10-18(16-12-27-28(13-16)7-8-29)21-17-5-3-4-6-19(17)22(30,20(21)11-15)23(24,25)26/h3-6,10-14,29-30H,7-9H2,1-2H3
InChIKeyWRKTXTKEFQPNID-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.52
Rot. Bonds5

About 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-(2-methylpropyl)-9-(trifluoromethyl)fluoren-9-ol

4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-(2-methylpropyl)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59493147) has the molecular formula C23H23F3N2O2 and a molecular weight of 416.44 g/mol. Its IUPAC name is 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-(2-methylpropyl)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-(2-methylpropyl)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59493147
Molecular FormulaC23H23F3N2O2
Molecular Weight416.44 g/mol
Exact Mass416.17
IUPAC Name4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-(2-methylpropyl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCC(C)Cc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C23H23F3N2O2/c1-14(2)9-15-10-18(16-12-27-28(13-16)7-8-29)21-17-5-3-4-6-19(17)22(30,20(21)11-15)23(24,25)26/h3-6,10-14,29-30H,7-9H2,1-2H3
InChIKeyWRKTXTKEFQPNID-UHFFFAOYSA-N
XLogP4.52
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-(2-methylpropyl)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-(2-methylpropyl)-9-(trifluoromethyl)fluoren-9-ol (CID 59493147) is 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-(2-methylpropyl)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-(2-methylpropyl)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-(2-methylpropyl)-9-(trifluoromethyl)fluoren-9-ol is CC(C)Cc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-(2-methylpropyl)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is WRKTXTKEFQPNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O2/c1-14(2)9-15-10-18(16-12-27-28(13-16)7-8-29)21-17-5-3-4-6-19(17)22(30,20(21)11-15)23(24,25)26/h3-6,10-14,29-30H,7-9H2,1-2H3.
What are the key properties of 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-(2-methylpropyl)-9-(trifluoromethyl)fluoren-9-ol?
4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-(2-methylpropyl)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 416.44 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-(2-methylpropyl)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59493147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).