5-methoxy-3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]oxypyridazine

C11H9F5N4O2 — CID 19436809

IUPAC5-methoxy-3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]oxypyridazine
SMILESCOc1cnnc(Oc2cc(C(F)(F)C(F)(F)F)nn2C)c1
InChIInChI=1S/C11H9F5N4O2/c1-20-9(22-8-3-6(21-2)5-17-18-8)4-7(19-20)10(12,13)11(14,15)16/h3-5H,1-2H3
InChIKeyOIGDVLZXBCLAEI-UHFFFAOYSA-N
MW324.21 g/mol
LogP2.67
Rot. Bonds4

About 5-methoxy-3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]oxypyridazine

5-methoxy-3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]oxypyridazine (PubChem CID 19436809) has the molecular formula C11H9F5N4O2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 5-methoxy-3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]oxypyridazine.

Molecular Properties

Compound Name5-methoxy-3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]oxypyridazine
PubChem CID19436809
Molecular FormulaC11H9F5N4O2
Molecular Weight324.21 g/mol
Exact Mass324.06
IUPAC Name5-methoxy-3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]oxypyridazine
SMILESCOc1cnnc(Oc2cc(C(F)(F)C(F)(F)F)nn2C)c1
InChIInChI=1S/C11H9F5N4O2/c1-20-9(22-8-3-6(21-2)5-17-18-8)4-7(19-20)10(12,13)11(14,15)16/h3-5H,1-2H3
InChIKeyOIGDVLZXBCLAEI-UHFFFAOYSA-N
XLogP2.67
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(difluoromethyl)-1-methylpyrazol-5-yl]oxy-5-methoxypyridazine
CID 19436780
5-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
CID 19436808
4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine
CID 22572630
[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl] formate
CID 91152344
4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine
CID 90766174
2-iodo-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
CID 12056712
3-bromo-5-methoxypyridazine
CID 118497529
5-methoxy-3-propan-2-ylpyridazine
CID 122547241
7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde
CID 59389347
4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-(4,4,4-trifluoro-3-methylbutoxy)pyridine
CID 22572644
4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine
CID 90876690
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;5-methoxy-3-(trifluoromethyl)pyridazine
CID 169255277

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]oxypyridazine?
The IUPAC name of 5-methoxy-3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]oxypyridazine (CID 19436809) is 5-methoxy-3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]oxypyridazine.
What is the SMILES notation for 5-methoxy-3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]oxypyridazine?
The canonical SMILES for 5-methoxy-3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]oxypyridazine is COc1cnnc(Oc2cc(C(F)(F)C(F)(F)F)nn2C)c1.
What is the InChIKey of 5-methoxy-3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]oxypyridazine?
The InChIKey is OIGDVLZXBCLAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5N4O2/c1-20-9(22-8-3-6(21-2)5-17-18-8)4-7(19-20)10(12,13)11(14,15)16/h3-5H,1-2H3.
What are the key properties of 5-methoxy-3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]oxypyridazine?
5-methoxy-3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]oxypyridazine has a molecular weight of 324.21 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]oxypyridazine is sourced from PubChem (CID 19436809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).