3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-methoxypyridazine

C11H11F3N4O2 — CID 19436777

IUPAC3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-methoxypyridazine
SMILESCCn1nc(C(F)(F)F)cc1Oc1cc(OC)cnn1
InChIInChI=1S/C11H11F3N4O2/c1-3-18-10(5-8(17-18)11(12,13)14)20-9-4-7(19-2)6-15-16-9/h4-6H,3H2,1-2H3
InChIKeyXGJFFOKJEHBZII-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.51
Rot. Bonds4

About 3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-methoxypyridazine

3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-methoxypyridazine (PubChem CID 19436777) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is 3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-methoxypyridazine.

Molecular Properties

Compound Name3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-methoxypyridazine
PubChem CID19436777
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC Name3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-methoxypyridazine
SMILESCCn1nc(C(F)(F)F)cc1Oc1cc(OC)cnn1
InChIInChI=1S/C11H11F3N4O2/c1-3-18-10(5-8(17-18)11(12,13)14)20-9-4-7(19-2)6-15-16-9/h4-6H,3H2,1-2H3
InChIKeyXGJFFOKJEHBZII-UHFFFAOYSA-N
XLogP2.51
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethoxy-3-[[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy]pyridazine
CID 19436778
3-chloro-4-methoxy-6-[[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy]pyridazine
CID 19436779
3-[[3-(Difluoromethyl)-1-methyl-1H-pyrazol-5-yl]oxy]-5-methoxypyridazine
CID 19436780
5-methoxy-3-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy]pyridazine
CID 19436785
3-[[1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-yl]oxy]-5-methoxypyridazine
CID 19436789
5-Bromo-3-[[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy]pyridazine
CID 19436792
5-methoxy-3-[[1-(tetrahydro-2H-pyran-2-yl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy]pyridazine
CID 19436793
5-(difluoromethoxy)-3-[[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy]pyridazine
CID 19436795
5-[(5-methoxy-3-pyridazinyl)oxy]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxaldehyde
CID 19436797
5-methoxy-3-[[1-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy]pyridazine
CID 19436799
5-ethenyl-3-[[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy]pyridazine
CID 19436801
3,5-Bis[[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy]pyridazine
CID 19436806

Frequently Asked Questions

What is the IUPAC name of 3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-methoxypyridazine?
The IUPAC name of 3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-methoxypyridazine (CID 19436777) is 3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-methoxypyridazine.
What is the SMILES notation for 3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-methoxypyridazine?
The canonical SMILES for 3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-methoxypyridazine is CCn1nc(C(F)(F)F)cc1Oc1cc(OC)cnn1.
What is the InChIKey of 3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-methoxypyridazine?
The InChIKey is XGJFFOKJEHBZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2/c1-3-18-10(5-8(17-18)11(12,13)14)20-9-4-7(19-2)6-15-16-9/h4-6H,3H2,1-2H3.
What are the key properties of 3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-methoxypyridazine?
3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-methoxypyridazine has a molecular weight of 288.23 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-methoxypyridazine is sourced from PubChem (CID 19436777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).