2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol

C8H11F3N2O — CID 121213242

IUPAC2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
SMILESCCc1[nH]nc(C(F)(F)F)c1CCO
InChIInChI=1S/C8H11F3N2O/c1-2-6-5(3-4-14)7(13-12-6)8(9,10)11/h14H,2-4H2,1H3,(H,12,13)
InChIKeyOMXDHFYITJJJHW-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.53
Rot. Bonds3

About 2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol

2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol (PubChem CID 121213242) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
PubChem CID121213242
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
SMILESCCc1[nH]nc(C(F)(F)F)c1CCO
InChIInChI=1S/C8H11F3N2O/c1-2-6-5(3-4-14)7(13-12-6)8(9,10)11/h14H,2-4H2,1H3,(H,12,13)
InChIKeyOMXDHFYITJJJHW-UHFFFAOYSA-N
XLogP1.53
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The IUPAC name of 2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol (CID 121213242) is 2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol is CCc1[nH]nc(C(F)(F)F)c1CCO.
What is the InChIKey of 2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The InChIKey is OMXDHFYITJJJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-2-6-5(3-4-14)7(13-12-6)8(9,10)11/h14H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol has a molecular weight of 208.18 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol is sourced from PubChem (CID 121213242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).