1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-ol

C11H9F3N2O — CID 117124790

IUPAC1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-ol
SMILESOc1cnn(Cc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)10-4-2-1-3-8(10)6-16-7-9(17)5-15-16/h1-5,7,17H,6H2
InChIKeyAFKXMELXFVZADA-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.66
Rot. Bonds2

About 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-ol

1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-ol (PubChem CID 117124790) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-ol.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-ol
PubChem CID117124790
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-ol
SMILESOc1cnn(Cc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)10-4-2-1-3-8(10)6-16-7-9(17)5-15-16/h1-5,7,17H,6H2
InChIKeyAFKXMELXFVZADA-UHFFFAOYSA-N
XLogP2.66
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol
CID 2783031
1-benzyl-1H-pyrazol-4-ol
CID 642218
1-((4-fluorophenyl)methyl)-1H-pyrazol-4-ol
CID 90457104
1-[(2-fluorophenyl)methyl]-1H-pyrazol-4-ol
CID 90457437
1-((2-chlorophenyl)methyl)-1H-pyrazol-4-ol
CID 90457476
1-[(2-methylphenyl)methyl]-1H-pyrazol-4-ol
CID 116799388
1-(2-(trifluoromethyl)benzyl)-1H-pyrazole
CID 57253554
1-Benzyl-4-(trifluoromethyl)pyrazole
CID 91079780
1-benzyl-4-(difluoromethyl)-1H-pyrazole
CID 124201599
1-o-Tolyl-1H-pyrazol-4-ol
CID 12901078
1-(4-Methylphenyl)-1H-pyrazol-4-ol
CID 12901079
2-(4-(3,5-difluorophenyl)-1H-pyrazol-1-yl)ethan-1-ol
CID 3620986

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-ol?
The IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-ol (CID 117124790) is 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-ol.
What is the SMILES notation for 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-ol?
The canonical SMILES for 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-ol is Oc1cnn(Cc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-ol?
The InChIKey is AFKXMELXFVZADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)10-4-2-1-3-8(10)6-16-7-9(17)5-15-16/h1-5,7,17H,6H2.
What are the key properties of 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-ol?
1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-ol has a molecular weight of 242.20 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-ol is sourced from PubChem (CID 117124790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).