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

C21H19F3N2O — CID 59492700

IUPAC4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
SMILESCC(C)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C21H19F3N2O/c1-13(2)11-26-12-14(10-25-26)15-7-5-9-18-19(15)16-6-3-4-8-17(16)20(18,27)21(22,23)24/h3-10,12-13,27H,11H2,1-2H3
InChIKeyDSZQCRPLNNDNGR-UHFFFAOYSA-N
MW372.39 g/mol
LogP4.98
Rot. Bonds3

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

4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492700) has the molecular formula C21H19F3N2O and a molecular weight of 372.39 g/mol. Its IUPAC name is 4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492700
Molecular FormulaC21H19F3N2O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
SMILESCC(C)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C21H19F3N2O/c1-13(2)11-26-12-14(10-25-26)15-7-5-9-18-19(15)16-6-3-4-8-17(16)20(18,27)21(22,23)24/h3-10,12-13,27H,11H2,1-2H3
InChIKeyDSZQCRPLNNDNGR-UHFFFAOYSA-N
XLogP4.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol (CID 59492700) is 4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol is CC(C)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of 4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is DSZQCRPLNNDNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O/c1-13(2)11-26-12-14(10-25-26)15-7-5-9-18-19(15)16-6-3-4-8-17(16)20(18,27)21(22,23)24/h3-10,12-13,27H,11H2,1-2H3.
What are the key properties of 4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 372.39 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).