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

C20H17F3N2O3 — CID 59492485

IUPAC4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methoxy-9-(trifluoromethyl)fluoren-9-ol
SMILESCOc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H17F3N2O3/c1-28-13-8-15(12-10-24-25(11-12)6-7-26)18-14-4-2-3-5-16(14)19(27,17(18)9-13)20(21,22)23/h2-5,8-11,26-27H,6-7H2,1H3
InChIKeyLLIYWRCXNPXJMM-UHFFFAOYSA-N
MW390.36 g/mol
LogP3.33
Rot. Bonds4

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

4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methoxy-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492485) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methoxy-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methoxy-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492485
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC Name4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methoxy-9-(trifluoromethyl)fluoren-9-ol
SMILESCOc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H17F3N2O3/c1-28-13-8-15(12-10-24-25(11-12)6-7-26)18-14-4-2-3-5-16(14)19(27,17(18)9-13)20(21,22)23/h2-5,8-11,26-27H,6-7H2,1H3
InChIKeyLLIYWRCXNPXJMM-UHFFFAOYSA-N
XLogP3.33
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methoxy-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methoxy-9-(trifluoromethyl)fluoren-9-ol (CID 59492485) is 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methoxy-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methoxy-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methoxy-9-(trifluoromethyl)fluoren-9-ol is COc1cc(-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-methoxy-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is LLIYWRCXNPXJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-28-13-8-15(12-10-24-25(11-12)6-7-26)18-14-4-2-3-5-16(14)19(27,17(18)9-13)20(21,22)23/h2-5,8-11,26-27H,6-7H2,1H3.
What are the key properties of 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methoxy-9-(trifluoromethyl)fluoren-9-ol?
4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methoxy-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 390.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methoxy-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).