1-[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]ethanol

C12H19F3N2O2 — CID 82697668

IUPAC1-[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]ethanol
SMILESCCc1nn(CCOC(F)(F)F)c(CC)c1C(C)O
InChIInChI=1S/C12H19F3N2O2/c1-4-9-11(8(3)18)10(5-2)17(16-9)6-7-19-12(13,14)15/h8,18H,4-7H2,1-3H3
InChIKeyHGPICUQDDJCMPP-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.60
Rot. Bonds6

About 1-[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]ethanol

1-[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]ethanol (PubChem CID 82697668) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]ethanol
PubChem CID82697668
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name1-[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]ethanol
SMILESCCc1nn(CCOC(F)(F)F)c(CC)c1C(C)O
InChIInChI=1S/C12H19F3N2O2/c1-4-9-11(8(3)18)10(5-2)17(16-9)6-7-19-12(13,14)15/h8,18H,4-7H2,1-3H3
InChIKeyHGPICUQDDJCMPP-UHFFFAOYSA-N
XLogP2.60
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]ethanol?
The IUPAC name of 1-[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]ethanol (CID 82697668) is 1-[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]ethanol is CCc1nn(CCOC(F)(F)F)c(CC)c1C(C)O.
What is the InChIKey of 1-[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]ethanol?
The InChIKey is HGPICUQDDJCMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-4-9-11(8(3)18)10(5-2)17(16-9)6-7-19-12(13,14)15/h8,18H,4-7H2,1-3H3.
What are the key properties of 1-[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]ethanol?
1-[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]ethanol has a molecular weight of 280.29 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 82697668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).