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

C19H15F3N2O — CID 59493199

IUPAC4-(1-ethylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C19H15F3N2O/c1-2-24-11-12(10-23-24)13-7-5-9-16-17(13)14-6-3-4-8-15(14)18(16,25)19(20,21)22/h3-11,25H,2H2,1H3
InChIKeyRUTZVOQVFGSKEP-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.35
Rot. Bonds2

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

4-(1-ethylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59493199) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59493199
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name4-(1-ethylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C19H15F3N2O/c1-2-24-11-12(10-23-24)13-7-5-9-16-17(13)14-6-3-4-8-15(14)18(16,25)19(20,21)22/h3-11,25H,2H2,1H3
InChIKeyRUTZVOQVFGSKEP-UHFFFAOYSA-N
XLogP4.35
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol (CID 59493199) is 4-(1-ethylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol is CCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is RUTZVOQVFGSKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c1-2-24-11-12(10-23-24)13-7-5-9-16-17(13)14-6-3-4-8-15(14)18(16,25)19(20,21)22/h3-11,25H,2H2,1H3.
What are the key properties of 4-(1-ethylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol?
4-(1-ethylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 344.34 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59493199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).