[3,5-diethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol

C12H19F3N2O2 — CID 82697836

IUPAC[3,5-diethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol
SMILESCCc1nn(CCOCC(F)(F)F)c(CC)c1CO
InChIInChI=1S/C12H19F3N2O2/c1-3-10-9(7-18)11(4-2)17(16-10)5-6-19-8-12(13,14)15/h18H,3-8H2,1-2H3
InChIKeyCVAMJLDGVSTEIZ-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.08
Rot. Bonds7

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

[3,5-diethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol (PubChem CID 82697836) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is [3,5-diethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3,5-diethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol
PubChem CID82697836
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name[3,5-diethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol
SMILESCCc1nn(CCOCC(F)(F)F)c(CC)c1CO
InChIInChI=1S/C12H19F3N2O2/c1-3-10-9(7-18)11(4-2)17(16-10)5-6-19-8-12(13,14)15/h18H,3-8H2,1-2H3
InChIKeyCVAMJLDGVSTEIZ-UHFFFAOYSA-N
XLogP2.08
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3,5-diethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol?
The IUPAC name of [3,5-diethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol (CID 82697836) is [3,5-diethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [3,5-diethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol?
The canonical SMILES for [3,5-diethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol is CCc1nn(CCOCC(F)(F)F)c(CC)c1CO.
What is the InChIKey of [3,5-diethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol?
The InChIKey is CVAMJLDGVSTEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-3-10-9(7-18)11(4-2)17(16-10)5-6-19-8-12(13,14)15/h18H,3-8H2,1-2H3.
What are the key properties of [3,5-diethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol?
[3,5-diethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol has a molecular weight of 280.29 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-diethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 82697836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).