5-methoxy-3-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine

C14H15F3N4O3 — CID 19436793

IUPAC5-methoxy-3-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
SMILESCOc1cnnc(Oc2cc(C(F)(F)F)nn2C2CCCCO2)c1
InChIInChI=1S/C14H15F3N4O3/c1-22-9-6-11(19-18-8-9)24-13-7-10(14(15,16)17)20-21(13)12-4-2-3-5-23-12/h6-8,12H,2-5H2,1H3
InChIKeyHNDGZRIPYJWNJH-UHFFFAOYSA-N
MW344.29 g/mol
LogP3.19
Rot. Bonds4

About 5-methoxy-3-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine

5-methoxy-3-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine (PubChem CID 19436793) has the molecular formula C14H15F3N4O3 and a molecular weight of 344.29 g/mol. Its IUPAC name is 5-methoxy-3-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine.

Molecular Properties

Compound Name5-methoxy-3-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
PubChem CID19436793
Molecular FormulaC14H15F3N4O3
Molecular Weight344.29 g/mol
Exact Mass344.11
IUPAC Name5-methoxy-3-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
SMILESCOc1cnnc(Oc2cc(C(F)(F)F)nn2C2CCCCO2)c1
InChIInChI=1S/C14H15F3N4O3/c1-22-9-6-11(19-18-8-9)24-13-7-10(14(15,16)17)20-21(13)12-4-2-3-5-23-12/h6-8,12H,2-5H2,1H3
InChIKeyHNDGZRIPYJWNJH-UHFFFAOYSA-N
XLogP3.19
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-(difluoromethoxy)-3-[[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy]pyridazine
CID 19436795
5-methoxy-3-[[1-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy]pyridazine
CID 19436799
3,5-Bis[[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy]pyridazine
CID 19436806
5-methoxy-3-[[1-methyl-3-(pentafluoroethyl)-1H-pyrazol-5-yl]oxy]pyridazine
CID 19436809
5-Methoxy-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridazine
CID 19436813
5-Methoxy-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxypyridazine
CID 53855257
5-Methoxy-3-[1-methyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-en-2-yl)pyrazol-5-yl]oxypyridazine
CID 54431524
5-Methoxy-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-oxidopyridazin-1-ium
CID 57087206

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The IUPAC name of 5-methoxy-3-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine (CID 19436793) is 5-methoxy-3-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine.
What is the SMILES notation for 5-methoxy-3-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The canonical SMILES for 5-methoxy-3-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine is COc1cnnc(Oc2cc(C(F)(F)F)nn2C2CCCCO2)c1.
What is the InChIKey of 5-methoxy-3-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The InChIKey is HNDGZRIPYJWNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3/c1-22-9-6-11(19-18-8-9)24-13-7-10(14(15,16)17)20-21(13)12-4-2-3-5-23-12/h6-8,12H,2-5H2,1H3.
What are the key properties of 5-methoxy-3-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
5-methoxy-3-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine has a molecular weight of 344.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine is sourced from PubChem (CID 19436793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).