2,2,2-trifluoro-1-[5-methoxy-2-(4-methylpyrazol-1-yl)phenyl]ethanol

C13H13F3N2O2 — CID 66743424

IUPAC2,2,2-trifluoro-1-[5-methoxy-2-(4-methylpyrazol-1-yl)phenyl]ethanol
SMILESCOc1ccc(-n2cc(C)cn2)c(C(O)C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O2/c1-8-6-17-18(7-8)11-4-3-9(20-2)5-10(11)12(19)13(14,15)16/h3-7,12,19H,1-2H3
InChIKeyHDWPMMGROQVSQV-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.79
Rot. Bonds3

About 2,2,2-trifluoro-1-[5-methoxy-2-(4-methylpyrazol-1-yl)phenyl]ethanol

2,2,2-trifluoro-1-[5-methoxy-2-(4-methylpyrazol-1-yl)phenyl]ethanol (PubChem CID 66743424) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-methoxy-2-(4-methylpyrazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-methoxy-2-(4-methylpyrazol-1-yl)phenyl]ethanol
PubChem CID66743424
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name2,2,2-trifluoro-1-[5-methoxy-2-(4-methylpyrazol-1-yl)phenyl]ethanol
SMILESCOc1ccc(-n2cc(C)cn2)c(C(O)C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O2/c1-8-6-17-18(7-8)11-4-3-9(20-2)5-10(11)12(19)13(14,15)16/h3-7,12,19H,1-2H3
InChIKeyHDWPMMGROQVSQV-UHFFFAOYSA-N
XLogP2.79
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-methoxy-2-(4-methylpyrazol-1-yl)phenyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[5-methoxy-2-(4-methylpyrazol-1-yl)phenyl]ethanol (CID 66743424) is 2,2,2-trifluoro-1-[5-methoxy-2-(4-methylpyrazol-1-yl)phenyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-methoxy-2-(4-methylpyrazol-1-yl)phenyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[5-methoxy-2-(4-methylpyrazol-1-yl)phenyl]ethanol is COc1ccc(-n2cc(C)cn2)c(C(O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-1-[5-methoxy-2-(4-methylpyrazol-1-yl)phenyl]ethanol?
The InChIKey is HDWPMMGROQVSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-8-6-17-18(7-8)11-4-3-9(20-2)5-10(11)12(19)13(14,15)16/h3-7,12,19H,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[5-methoxy-2-(4-methylpyrazol-1-yl)phenyl]ethanol?
2,2,2-trifluoro-1-[5-methoxy-2-(4-methylpyrazol-1-yl)phenyl]ethanol has a molecular weight of 286.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[5-methoxy-2-(4-methylpyrazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 66743424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).