[1-[2-fluoro-6-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol

C14H14F4N2O — CID 67528724

IUPAC[1-[2-fluoro-6-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol
SMILESCC(C)c1cnn(-c2c(F)cccc2C(F)(F)F)c1CO
InChIInChI=1S/C14H14F4N2O/c1-8(2)9-6-19-20(12(9)7-21)13-10(14(16,17)18)4-3-5-11(13)15/h3-6,8,21H,7H2,1-2H3
InChIKeyNSRHTAQVAQZMIS-UHFFFAOYSA-N
MW302.27 g/mol
LogP3.65
Rot. Bonds3

About [1-[2-fluoro-6-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol

[1-[2-fluoro-6-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol (PubChem CID 67528724) has the molecular formula C14H14F4N2O and a molecular weight of 302.27 g/mol. Its IUPAC name is [1-[2-fluoro-6-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-[2-fluoro-6-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol
PubChem CID67528724
Molecular FormulaC14H14F4N2O
Molecular Weight302.27 g/mol
Exact Mass302.10
IUPAC Name[1-[2-fluoro-6-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol
SMILESCC(C)c1cnn(-c2c(F)cccc2C(F)(F)F)c1CO
InChIInChI=1S/C14H14F4N2O/c1-8(2)9-6-19-20(12(9)7-21)13-10(14(16,17)18)4-3-5-11(13)15/h3-6,8,21H,7H2,1-2H3
InChIKeyNSRHTAQVAQZMIS-UHFFFAOYSA-N
XLogP3.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-fluoro-6-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol?
The IUPAC name of [1-[2-fluoro-6-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol (CID 67528724) is [1-[2-fluoro-6-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol.
What is the SMILES notation for [1-[2-fluoro-6-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol?
The canonical SMILES for [1-[2-fluoro-6-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol is CC(C)c1cnn(-c2c(F)cccc2C(F)(F)F)c1CO.
What is the InChIKey of [1-[2-fluoro-6-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol?
The InChIKey is NSRHTAQVAQZMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O/c1-8(2)9-6-19-20(12(9)7-21)13-10(14(16,17)18)4-3-5-11(13)15/h3-6,8,21H,7H2,1-2H3.
What are the key properties of [1-[2-fluoro-6-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol?
[1-[2-fluoro-6-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol has a molecular weight of 302.27 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-fluoro-6-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol is sourced from PubChem (CID 67528724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).