N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C15H15F3N4O3 — CID 135576814

IUPACN-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(/C(C)=N/NC(=O)Cn2ccc(C(F)(F)F)n2)c(O)c1
InChIInChI=1S/C15H15F3N4O3/c1-9(11-4-3-10(25-2)7-12(11)23)19-20-14(24)8-22-6-5-13(21-22)15(16,17)18/h3-7,23H,8H2,1-2H3,(H,20,24)/b19-9+
InChIKeyHMGIQWLIFFJVMC-DJKKODMXSA-N
MW356.30 g/mol
LogP2.16
Rot. Bonds5

About N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 135576814) has the molecular formula C15H15F3N4O3 and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID135576814
Molecular FormulaC15H15F3N4O3
Molecular Weight356.30 g/mol
Exact Mass356.11
IUPAC NameN-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(/C(C)=N/NC(=O)Cn2ccc(C(F)(F)F)n2)c(O)c1
InChIInChI=1S/C15H15F3N4O3/c1-9(11-4-3-10(25-2)7-12(11)23)19-20-14(24)8-22-6-5-13(21-22)15(16,17)18/h3-7,23H,8H2,1-2H3,(H,20,24)/b19-9+
InChIKeyHMGIQWLIFFJVMC-DJKKODMXSA-N
XLogP2.16
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 135576814) is N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is COc1ccc(/C(C)=N/NC(=O)Cn2ccc(C(F)(F)F)n2)c(O)c1.
What is the InChIKey of N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is HMGIQWLIFFJVMC-DJKKODMXSA-N. The full InChI is InChI=1S/C15H15F3N4O3/c1-9(11-4-3-10(25-2)7-12(11)23)19-20-14(24)8-22-6-5-13(21-22)15(16,17)18/h3-7,23H,8H2,1-2H3,(H,20,24)/b19-9+.
What are the key properties of N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 356.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 135576814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).