1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol

C6H7F3N2O — CID 11137709

IUPAC1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol
SMILESCC(O)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C6H7F3N2O/c1-3(12)4-2-5(11-10-4)6(7,8)9/h2-3,12H,1H3,(H,10,11)
InChIKeyKWQVNALNGOPCKT-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.48
Rot. Bonds1

About 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol

1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol (PubChem CID 11137709) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol
PubChem CID11137709
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol
SMILESCC(O)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C6H7F3N2O/c1-3(12)4-2-5(11-10-4)6(7,8)9/h2-3,12H,1H3,(H,10,11)
InChIKeyKWQVNALNGOPCKT-UHFFFAOYSA-N
XLogP1.48
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol?
The IUPAC name of 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol (CID 11137709) is 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol is CC(O)c1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol?
The InChIKey is KWQVNALNGOPCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-3(12)4-2-5(11-10-4)6(7,8)9/h2-3,12H,1H3,(H,10,11).
What are the key properties of 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol?
1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol has a molecular weight of 180.13 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol is sourced from PubChem (CID 11137709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).