3-[3-(2,2-difluoroethenyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine

C11H10F2N4O2 — CID 102121295

IUPAC3-[3-(2,2-difluoroethenyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine
SMILESCOc1cnnc(Oc2cc(C=C(F)F)nn2C)c1
InChIInChI=1S/C11H10F2N4O2/c1-17-11(4-7(16-17)3-9(12)13)19-10-5-8(18-2)6-14-15-10/h3-6H,1-2H3
InChIKeyWNMUKIRJWZWSGY-UHFFFAOYSA-N
MW268.22 g/mol
LogP2.25
Rot. Bonds4

About 3-[3-(2,2-difluoroethenyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine

3-[3-(2,2-difluoroethenyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine (PubChem CID 102121295) has the molecular formula C11H10F2N4O2 and a molecular weight of 268.22 g/mol. Its IUPAC name is 3-[3-(2,2-difluoroethenyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine.

Molecular Properties

Compound Name3-[3-(2,2-difluoroethenyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine
PubChem CID102121295
Molecular FormulaC11H10F2N4O2
Molecular Weight268.22 g/mol
Exact Mass268.08
IUPAC Name3-[3-(2,2-difluoroethenyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine
SMILESCOc1cnnc(Oc2cc(C=C(F)F)nn2C)c1
InChIInChI=1S/C11H10F2N4O2/c1-17-11(4-7(16-17)3-9(12)13)19-10-5-8(18-2)6-14-15-10/h3-6H,1-2H3
InChIKeyWNMUKIRJWZWSGY-UHFFFAOYSA-N
XLogP2.25
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-Ethyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-methoxypyridazine
CID 19436777
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-difluoroethenyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine?
The IUPAC name of 3-[3-(2,2-difluoroethenyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine (CID 102121295) is 3-[3-(2,2-difluoroethenyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine.
What is the SMILES notation for 3-[3-(2,2-difluoroethenyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine?
The canonical SMILES for 3-[3-(2,2-difluoroethenyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine is COc1cnnc(Oc2cc(C=C(F)F)nn2C)c1.
What is the InChIKey of 3-[3-(2,2-difluoroethenyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine?
The InChIKey is WNMUKIRJWZWSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O2/c1-17-11(4-7(16-17)3-9(12)13)19-10-5-8(18-2)6-14-15-10/h3-6H,1-2H3.
What are the key properties of 3-[3-(2,2-difluoroethenyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine?
3-[3-(2,2-difluoroethenyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine has a molecular weight of 268.22 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-difluoroethenyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine is sourced from PubChem (CID 102121295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).