3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-ethyl-N-methylpyrazole-1-carboximidate

C13H11ClF3N4O2- — CID 59371227

IUPAC3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-ethyl-N-methylpyrazole-1-carboximidate
SMILESCCc1cc(Oc2ncc(C(F)(F)F)cc2Cl)nn1/C([O-])=N/C
InChIInChI=1S/C13H12ClF3N4O2/c1-3-8-5-10(20-21(8)12(22)18-2)23-11-9(14)4-7(6-19-11)13(15,16)17/h4-6H,3H2,1-2H3,(H,18,22)/p-1
InChIKeyGARBNXUBNRKJLE-UHFFFAOYSA-M
MW347.70 g/mol
LogP2.50
Rot. Bonds3

About 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-ethyl-N-methylpyrazole-1-carboximidate

3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-ethyl-N-methylpyrazole-1-carboximidate (PubChem CID 59371227) has the molecular formula C13H11ClF3N4O2- and a molecular weight of 347.70 g/mol. Its IUPAC name is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-ethyl-N-methylpyrazole-1-carboximidate.

Molecular Properties

Compound Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-ethyl-N-methylpyrazole-1-carboximidate
PubChem CID59371227
Molecular FormulaC13H11ClF3N4O2-
Molecular Weight347.70 g/mol
Exact Mass347.05
IUPAC Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-ethyl-N-methylpyrazole-1-carboximidate
SMILESCCc1cc(Oc2ncc(C(F)(F)F)cc2Cl)nn1/C([O-])=N/C
InChIInChI=1S/C13H12ClF3N4O2/c1-3-8-5-10(20-21(8)12(22)18-2)23-11-9(14)4-7(6-19-11)13(15,16)17/h4-6H,3H2,1-2H3,(H,18,22)/p-1
InChIKeyGARBNXUBNRKJLE-UHFFFAOYSA-M
XLogP2.50
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.70
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-methyl-N-prop-2-enylpyrazole-1-carbothioamide
CID 91003267
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119138303
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] propaneperoxoate
CID 22070374
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119138302
[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-(ethoxymethyl)phenyl]methanol
CID 69318802
2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine
CID 169336505
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 56832322
3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine
CID 63529961
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 2735828

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-ethyl-N-methylpyrazole-1-carboximidate?
The IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-ethyl-N-methylpyrazole-1-carboximidate (CID 59371227) is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-ethyl-N-methylpyrazole-1-carboximidate.
What is the SMILES notation for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-ethyl-N-methylpyrazole-1-carboximidate?
The canonical SMILES for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-ethyl-N-methylpyrazole-1-carboximidate is CCc1cc(Oc2ncc(C(F)(F)F)cc2Cl)nn1/C([O-])=N/C.
What is the InChIKey of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-ethyl-N-methylpyrazole-1-carboximidate?
The InChIKey is GARBNXUBNRKJLE-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12ClF3N4O2/c1-3-8-5-10(20-21(8)12(22)18-2)23-11-9(14)4-7(6-19-11)13(15,16)17/h4-6H,3H2,1-2H3,(H,18,22)/p-1.
What are the key properties of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-ethyl-N-methylpyrazole-1-carboximidate?
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-ethyl-N-methylpyrazole-1-carboximidate has a molecular weight of 347.70 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-ethyl-N-methylpyrazole-1-carboximidate is sourced from PubChem (CID 59371227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).