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

C11H17F3N2O2 — CID 82697168

IUPAC[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]methanol
SMILESCCc1nn(CCOC(F)(F)F)c(CC)c1CO
InChIInChI=1S/C11H17F3N2O2/c1-3-9-8(7-17)10(4-2)16(15-9)5-6-18-11(12,13)14/h17H,3-7H2,1-2H3
InChIKeyWBVACTDACAZMTK-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.04
Rot. Bonds6

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

[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]methanol (PubChem CID 82697168) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is [3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]methanol
PubChem CID82697168
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]methanol
SMILESCCc1nn(CCOC(F)(F)F)c(CC)c1CO
InChIInChI=1S/C11H17F3N2O2/c1-3-9-8(7-17)10(4-2)16(15-9)5-6-18-11(12,13)14/h17H,3-7H2,1-2H3
InChIKeyWBVACTDACAZMTK-UHFFFAOYSA-N
XLogP2.04
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]methanol?
The IUPAC name of [3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]methanol (CID 82697168) is [3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]methanol?
The canonical SMILES for [3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]methanol is CCc1nn(CCOC(F)(F)F)c(CC)c1CO.
What is the InChIKey of [3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]methanol?
The InChIKey is WBVACTDACAZMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-3-9-8(7-17)10(4-2)16(15-9)5-6-18-11(12,13)14/h17H,3-7H2,1-2H3.
What are the key properties of [3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]methanol?
[3,5-diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]methanol has a molecular weight of 266.26 g/mol, XLogP of 2.04, 6 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-(trifluoromethoxy)ethyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 82697168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).