N-[1-(2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C14H13F3N4O2 — CID 5168052

IUPACN-[1-(2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(=NNC(=O)Cn1ccc(C(F)(F)F)n1)c1ccccc1O
InChIInChI=1S/C14H13F3N4O2/c1-9(10-4-2-3-5-11(10)22)18-19-13(23)8-21-7-6-12(20-21)14(15,16)17/h2-7,22H,8H2,1H3,(H,19,23)
InChIKeyHNTFZBCKKRJKNA-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.15
Rot. Bonds4

About N-[1-(2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[1-(2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 5168052) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID5168052
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC NameN-[1-(2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(=NNC(=O)Cn1ccc(C(F)(F)F)n1)c1ccccc1O
InChIInChI=1S/C14H13F3N4O2/c1-9(10-4-2-3-5-11(10)22)18-19-13(23)8-21-7-6-12(20-21)14(15,16)17/h2-7,22H,8H2,1H3,(H,19,23)
InChIKeyHNTFZBCKKRJKNA-UHFFFAOYSA-N
XLogP2.15
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

N'-[(E)-(2-hydroxyphenyl)methylidene]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide
CID 135549910
2-(3,5-Dimethyl-1H-pyrazol-1-YL)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]acetohydrazide
CID 135521475
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(2-hydroxyphenyl)methylidene]propanehydrazide
CID 135517054
N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanehydrazide
CID 135517055
N'-[(1E)-1-(4-hydroxyphenyl)ethylidene]-2-(4-nitro-1H-pyrazol-1-yl)acetohydrazide
CID 135630547
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2-(3-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 135517126
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(4-hydroxyphenyl)methylidene]propanehydrazide
CID 135517079
4-fluoro-2-(1-methyl-1H-pyrazol-5-yl)phenol
CID 2804882
2,4-difluoro-6-(1-methyl-1H-pyrazol-5-yl)phenol
CID 2804884
2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
CID 135607603
2-(3-(4-methylphenyl)-1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-4,5-dihydro-1H-pyrazol-5-yl)phenol
CID 4226366
2-{[(1,5-dimethyl-1H-pyrazol-4-yl)amino]methyl}phenol
CID 19576832

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 5168052) is N-[1-(2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(=NNC(=O)Cn1ccc(C(F)(F)F)n1)c1ccccc1O.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is HNTFZBCKKRJKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c1-9(10-4-2-3-5-11(10)22)18-19-13(23)8-21-7-6-12(20-21)14(15,16)17/h2-7,22H,8H2,1H3,(H,19,23).
What are the key properties of N-[1-(2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 326.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 5168052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).