[5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol

C8H11F3N2O2 — CID 66718631

IUPAC[5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCCOc1c(CO)c(C(F)(F)F)nn1C
InChIInChI=1S/C8H11F3N2O2/c1-3-15-7-5(4-14)6(8(9,10)11)12-13(7)2/h14H,3-4H2,1-2H3
InChIKeyPGOYFHYNXHGYKX-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.33
Rot. Bonds3

About [5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol

[5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 66718631) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is [5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID66718631
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name[5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCCOc1c(CO)c(C(F)(F)F)nn1C
InChIInChI=1S/C8H11F3N2O2/c1-3-15-7-5(4-14)6(8(9,10)11)12-13(7)2/h14H,3-4H2,1-2H3
InChIKeyPGOYFHYNXHGYKX-UHFFFAOYSA-N
XLogP1.33
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol (CID 66718631) is [5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol is CCOc1c(CO)c(C(F)(F)F)nn1C.
What is the InChIKey of [5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is PGOYFHYNXHGYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-3-15-7-5(4-14)6(8(9,10)11)12-13(7)2/h14H,3-4H2,1-2H3.
What are the key properties of [5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
[5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 224.18 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 66718631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).