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

C7H9F3N2O — CID 146048589

IUPAC(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESC[C@H](O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-4(13)5-3-12(2)11-6(5)7(8,9)10/h3-4,13H,1-2H3/t4-/m0/s1
InChIKeyOHTDWUNCSWIVTI-BYPYZUCNSA-N
MW194.16 g/mol
LogP1.49
Rot. Bonds1

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

(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol (PubChem CID 146048589) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is (1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
PubChem CID146048589
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESC[C@H](O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-4(13)5-3-12(2)11-6(5)7(8,9)10/h3-4,13H,1-2H3/t4-/m0/s1
InChIKeyOHTDWUNCSWIVTI-BYPYZUCNSA-N
XLogP1.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The IUPAC name of (1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol (CID 146048589) is (1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for (1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol is C[C@H](O)c1cn(C)nc1C(F)(F)F.
What is the InChIKey of (1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The InChIKey is OHTDWUNCSWIVTI-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-4(13)5-3-12(2)11-6(5)7(8,9)10/h3-4,13H,1-2H3/t4-/m0/s1.
What are the key properties of (1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol has a molecular weight of 194.16 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 146048589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).