1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol

C13H13F3N2O — CID 62730727

IUPAC1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H13F3N2O/c1-9(19)11-6-17-18(8-11)7-10-3-2-4-12(5-10)13(14,15)16/h2-6,8-9,19H,7H2,1H3
InChIKeyVZVKJIYLCYOXET-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.00
Rot. Bonds3

About 1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol

1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol (PubChem CID 62730727) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol
PubChem CID62730727
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H13F3N2O/c1-9(19)11-6-17-18(8-11)7-10-3-2-4-12(5-10)13(14,15)16/h2-6,8-9,19H,7H2,1H3
InChIKeyVZVKJIYLCYOXET-UHFFFAOYSA-N
XLogP3.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine
CID 62731966
1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-one
CID 62728193
1-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethanol
CID 146194526
1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 79001292
2,2,2-trifluoro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetamide
CID 19346859
1-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea
CID 19344336
1-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]ethanol
CID 55109223
1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol
CID 79107382
1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
CID 23274336
2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346909
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
CID 19537959
4-chloro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346964

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol (CID 62730727) is 1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol is CC(O)c1cnn(Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol?
The InChIKey is VZVKJIYLCYOXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-9(19)11-6-17-18(8-11)7-10-3-2-4-12(5-10)13(14,15)16/h2-6,8-9,19H,7H2,1H3.
What are the key properties of 1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol?
1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol has a molecular weight of 270.25 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 62730727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).