5-ethenyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine

C11H9F3N4O — CID 19436801

IUPAC5-ethenyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
SMILESC=Cc1cnnc(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C11H9F3N4O/c1-3-7-4-9(16-15-6-7)19-10-5-8(11(12,13)14)17-18(10)2/h3-6H,1H2,2H3
InChIKeyROFXBMCOFBLIEL-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.66
Rot. Bonds3

About 5-ethenyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine

5-ethenyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine (PubChem CID 19436801) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 5-ethenyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine.

Molecular Properties

Compound Name5-ethenyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
PubChem CID19436801
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name5-ethenyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
SMILESC=Cc1cnnc(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C11H9F3N4O/c1-3-7-4-9(16-15-6-7)19-10-5-8(11(12,13)14)17-18(10)2/h3-6H,1H2,2H3
InChIKeyROFXBMCOFBLIEL-UHFFFAOYSA-N
XLogP2.66
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-[[3-(Difluoromethyl)-1-methyl-1H-pyrazol-5-yl]oxy]-5-methoxypyridazine
CID 19436780
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-(difluoromethoxy)-3-[[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy]pyridazine
CID 19436795
5-Methylsulfanyl-3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridazine
CID 19436802
6-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridazine-4-carbonitrile
CID 19436803
5-Methyl-3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridazine
CID 19436808
N-Methyl-6-[[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy]-4-pyridazinamine
CID 19436810
4-Methyl-3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridazine
CID 19436812
5-Methoxy-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridazine
CID 19436813

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The IUPAC name of 5-ethenyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine (CID 19436801) is 5-ethenyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine.
What is the SMILES notation for 5-ethenyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The canonical SMILES for 5-ethenyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine is C=Cc1cnnc(Oc2cc(C(F)(F)F)nn2C)c1.
What is the InChIKey of 5-ethenyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The InChIKey is ROFXBMCOFBLIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c1-3-7-4-9(16-15-6-7)19-10-5-8(11(12,13)14)17-18(10)2/h3-6H,1H2,2H3.
What are the key properties of 5-ethenyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
5-ethenyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine has a molecular weight of 270.21 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine is sourced from PubChem (CID 19436801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).