2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol

C6H7F3N2O — CID 10678923

IUPAC2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
SMILESOCCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)5-4(1-2-12)3-10-11-5/h3,12H,1-2H2,(H,10,11)
InChIKeyLCGDQQZYWOMJAW-UHFFFAOYSA-N
MW180.13 g/mol
LogP0.96
Rot. Bonds2

About 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol

2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol (PubChem CID 10678923) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
PubChem CID10678923
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
SMILESOCCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)5-4(1-2-12)3-10-11-5/h3,12H,1-2H2,(H,10,11)
InChIKeyLCGDQQZYWOMJAW-UHFFFAOYSA-N
XLogP0.96
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol (CID 10678923) is 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol is OCCc1cn[nH]c1C(F)(F)F.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The InChIKey is LCGDQQZYWOMJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c7-6(8,9)5-4(1-2-12)3-10-11-5/h3,12H,1-2H2,(H,10,11).
What are the key properties of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol has a molecular weight of 180.13 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol is sourced from PubChem (CID 10678923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).