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

C12H11F3N2O — CID 63372117

IUPAC(1S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol
SMILESC[C@H](O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H11F3N2O/c1-8(18)9-2-4-10(5-3-9)17-7-6-11(16-17)12(13,14)15/h2-8,18H,1H3/t8-/m0/s1
InChIKeyONMAUHVVRSNDFK-QMMMGPOBSA-N
MW256.23 g/mol
LogP2.94
Rot. Bonds2

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

(1S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol (PubChem CID 63372117) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is (1S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol
PubChem CID63372117
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name(1S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol
SMILESC[C@H](O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H11F3N2O/c1-8(18)9-2-4-10(5-3-9)17-7-6-11(16-17)12(13,14)15/h2-8,18H,1H3/t8-/m0/s1
InChIKeyONMAUHVVRSNDFK-QMMMGPOBSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol (CID 63372117) is (1S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol is C[C@H](O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of (1S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol?
The InChIKey is ONMAUHVVRSNDFK-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-8(18)9-2-4-10(5-3-9)17-7-6-11(16-17)12(13,14)15/h2-8,18H,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol?
(1S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol has a molecular weight of 256.23 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol is sourced from PubChem (CID 63372117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).