(Z)-N-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[3-(trifluoromethyl)phenyl]ethanimine

C16H15F6N3O2 — CID 175955178

IUPAC(Z)-N-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[3-(trifluoromethyl)phenyl]ethanimine
SMILESCCO/N=C(\COc1cc(C(F)(F)F)nn1C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F6N3O2/c1-3-27-24-12(10-5-4-6-11(7-10)15(17,18)19)9-26-14-8-13(16(20,21)22)23-25(14)2/h4-8H,3,9H2,1-2H3/b24-12+
InChIKeyBLLVIDBULBWBHQ-WYMPLXKRSA-N
MW395.30 g/mol
LogP4.28
Rot. Bonds6

About (Z)-N-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[3-(trifluoromethyl)phenyl]ethanimine

(Z)-N-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[3-(trifluoromethyl)phenyl]ethanimine (PubChem CID 175955178) has the molecular formula C16H15F6N3O2 and a molecular weight of 395.30 g/mol. Its IUPAC name is (Z)-N-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[3-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[3-(trifluoromethyl)phenyl]ethanimine
PubChem CID175955178
Molecular FormulaC16H15F6N3O2
Molecular Weight395.30 g/mol
Exact Mass395.11
IUPAC Name(Z)-N-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[3-(trifluoromethyl)phenyl]ethanimine
SMILESCCO/N=C(\COc1cc(C(F)(F)F)nn1C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F6N3O2/c1-3-27-24-12(10-5-4-6-11(7-10)15(17,18)19)9-26-14-8-13(16(20,21)22)23-25(14)2/h4-8H,3,9H2,1-2H3/b24-12+
InChIKeyBLLVIDBULBWBHQ-WYMPLXKRSA-N
XLogP4.28
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-(2,3,4-trichlorophenyl)ethanimine
CID 175955186
2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 18974774
2-[[3-imidazol-1-yl-1-[3-(trifluoromethyl)phenyl]propylidene]amino]oxyethanamine
CID 54052375
2-phenylmethoxyimino-2-[3-(trifluoromethyl)phenyl]ethanol
CID 150361849
[2-[(E)-N-ethoxy-C-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxycarbonimidoyl]phenyl] acetate
CID 172973317
(E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine
CID 20782602
5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine
CID 91338292
1-methyl-4-[3-methyl-2-[[[3-methyl-1-[3-(trifluoromethyl)phenyl]butylidene]amino]oxymethyl]phenyl]tetrazol-5-one
CID 118459384
(NE)-N-[(1E)-1-ethoxyimino-1-[4-[3-(trifluoromethyl)phenoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 135545163
5-ethoxy-1-phenyl-3-(trifluoromethyl)pyrazole
CID 121014903
[1-methyl-3-(trifluoromethyl)pyrazol-5-yl] 2-chlorobenzoate
CID 2807373
CID 172954014
CID 172954014

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[3-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of (Z)-N-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[3-(trifluoromethyl)phenyl]ethanimine (CID 175955178) is (Z)-N-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[3-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for (Z)-N-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[3-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for (Z)-N-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[3-(trifluoromethyl)phenyl]ethanimine is CCO/N=C(\COc1cc(C(F)(F)F)nn1C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (Z)-N-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[3-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is BLLVIDBULBWBHQ-WYMPLXKRSA-N. The full InChI is InChI=1S/C16H15F6N3O2/c1-3-27-24-12(10-5-4-6-11(7-10)15(17,18)19)9-26-14-8-13(16(20,21)22)23-25(14)2/h4-8H,3,9H2,1-2H3/b24-12+.
What are the key properties of (Z)-N-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[3-(trifluoromethyl)phenyl]ethanimine?
(Z)-N-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[3-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 395.30 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[3-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 175955178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).