3-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine

C18H14F6N4O — CID 162608788

IUPAC3-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine
SMILESCC(Cn1cccn1)c1ccc(Oc2ccc(C(F)(F)F)nc2)nc1C(F)(F)F
InChIInChI=1S/C18H14F6N4O/c1-11(10-28-8-2-7-26-28)13-4-6-15(27-16(13)18(22,23)24)29-12-3-5-14(25-9-12)17(19,20)21/h2-9,11H,10H2,1H3
InChIKeyKRQMOZONXNFRPQ-UHFFFAOYSA-N
MW416.33 g/mol
LogP5.31
Rot. Bonds5

About 3-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine

3-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine (PubChem CID 162608788) has the molecular formula C18H14F6N4O and a molecular weight of 416.33 g/mol. Its IUPAC name is 3-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine.

Molecular Properties

Compound Name3-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine
PubChem CID162608788
Molecular FormulaC18H14F6N4O
Molecular Weight416.33 g/mol
Exact Mass416.11
IUPAC Name3-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine
SMILESCC(Cn1cccn1)c1ccc(Oc2ccc(C(F)(F)F)nc2)nc1C(F)(F)F
InChIInChI=1S/C18H14F6N4O/c1-11(10-28-8-2-7-26-28)13-4-6-15(27-16(13)18(22,23)24)29-12-3-5-14(25-9-12)17(19,20)21/h2-9,11H,10H2,1H3
InChIKeyKRQMOZONXNFRPQ-UHFFFAOYSA-N
XLogP5.31
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.33
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine?
The IUPAC name of 3-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine (CID 162608788) is 3-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine.
What is the SMILES notation for 3-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine?
The canonical SMILES for 3-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine is CC(Cn1cccn1)c1ccc(Oc2ccc(C(F)(F)F)nc2)nc1C(F)(F)F.
What is the InChIKey of 3-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine?
The InChIKey is KRQMOZONXNFRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N4O/c1-11(10-28-8-2-7-26-28)13-4-6-15(27-16(13)18(22,23)24)29-12-3-5-14(25-9-12)17(19,20)21/h2-9,11H,10H2,1H3.
What are the key properties of 3-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine?
3-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine has a molecular weight of 416.33 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine is sourced from PubChem (CID 162608788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).