4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine

C15H13F6N3O2S — CID 90876690

IUPAC4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine
SMILESCC=C(Oc1cc(C)cc(Oc2cc(C(F)(F)F)nn2C)n1)SC(F)(F)F
InChIInChI=1S/C15H13F6N3O2S/c1-4-13(27-15(19,20)21)26-11-6-8(2)5-10(22-11)25-12-7-9(14(16,17)18)23-24(12)3/h4-7H,1-3H3
InChIKeyZZTMOWQLCXWFSP-UHFFFAOYSA-N
MW413.34 g/mol
LogP5.43
Rot. Bonds5

About 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine

4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine (PubChem CID 90876690) has the molecular formula C15H13F6N3O2S and a molecular weight of 413.34 g/mol. Its IUPAC name is 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine.

Molecular Properties

Compound Name4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine
PubChem CID90876690
Molecular FormulaC15H13F6N3O2S
Molecular Weight413.34 g/mol
Exact Mass413.06
IUPAC Name4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine
SMILESCC=C(Oc1cc(C)cc(Oc2cc(C(F)(F)F)nn2C)n1)SC(F)(F)F
InChIInChI=1S/C15H13F6N3O2S/c1-4-13(27-15(19,20)21)26-11-6-8(2)5-10(22-11)25-12-7-9(14(16,17)18)23-24(12)3/h4-7H,1-3H3
InChIKeyZZTMOWQLCXWFSP-UHFFFAOYSA-N
XLogP5.43
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.34
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine
CID 91023650
4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine
CID 22572630
4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-(4,4,4-trifluoro-3-methylbutoxy)pyridine
CID 22572644
5-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
CID 19436808
4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine
CID 90766174
2-benzylsulfanyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile
CID 139767301
2-iodo-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
CID 12056712
2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine
CID 18359732
[1-methyl-3-(trifluoromethyl)pyrazol-5-yl] 2-chlorobenzoate
CID 2807373
[1-methyl-3-(trifluoromethyl)pyrazol-5-yl] 4-(trifluoromethyl)benzenesulfonate
CID 2807897
1-methyl-5-methylsulfonyl-3-(trifluoromethyl)pyrazole
CID 59356398
[1-methyl-3-(trifluoromethyl)pyrazol-5-yl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2807374

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine?
The IUPAC name of 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine (CID 90876690) is 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine.
What is the SMILES notation for 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine?
The canonical SMILES for 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine is CC=C(Oc1cc(C)cc(Oc2cc(C(F)(F)F)nn2C)n1)SC(F)(F)F.
What is the InChIKey of 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine?
The InChIKey is ZZTMOWQLCXWFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F6N3O2S/c1-4-13(27-15(19,20)21)26-11-6-8(2)5-10(22-11)25-12-7-9(14(16,17)18)23-24(12)3/h4-7H,1-3H3.
What are the key properties of 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine?
4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine has a molecular weight of 413.34 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine is sourced from PubChem (CID 90876690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).