2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol

C13H13F3N2O2 — CID 107105009

IUPAC2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
SMILESCn1cc(CC(O)c2cccc(OC(F)(F)F)c2)cn1
InChIInChI=1S/C13H13F3N2O2/c1-18-8-9(7-17-18)5-12(19)10-3-2-4-11(6-10)20-13(14,15)16/h2-4,6-8,12,19H,5H2,1H3
InChIKeyFEDJTBNVDQNRLV-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.59
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol

2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol (PubChem CID 107105009) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
PubChem CID107105009
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
SMILESCn1cc(CC(O)c2cccc(OC(F)(F)F)c2)cn1
InChIInChI=1S/C13H13F3N2O2/c1-18-8-9(7-17-18)5-12(19)10-3-2-4-11(6-10)20-13(14,15)16/h2-4,6-8,12,19H,5H2,1H3
InChIKeyFEDJTBNVDQNRLV-UHFFFAOYSA-N
XLogP2.59
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol
CID 115780318
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol
CID 115780549
2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 122199367
1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol
CID 81134031
[1-(3-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105191715
1-(3-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62127843
2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918244
3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 103027521
2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918413
(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 83090224
2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 107104973
(3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 66118408

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol (CID 107105009) is 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol is Cn1cc(CC(O)c2cccc(OC(F)(F)F)c2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is FEDJTBNVDQNRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-18-8-9(7-17-18)5-12(19)10-3-2-4-11(6-10)20-13(14,15)16/h2-4,6-8,12,19H,5H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol?
2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 286.25 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 107105009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).