2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide

C14H12F4N4O2 — CID 843287

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)NN=Cc1ccccc1O
InChIInChI=1S/C14H12F4N4O2/c15-13(16)9-5-10(14(17)18)22(21-9)7-12(24)20-19-6-8-3-1-2-4-11(8)23/h1-6,13-14,23H,7H2,(H,20,24)
InChIKeyUJUHFDPFKPITOE-UHFFFAOYSA-N
MW344.27 g/mol
LogP2.61
Rot. Bonds6

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 843287) has the molecular formula C14H12F4N4O2 and a molecular weight of 344.27 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID843287
Molecular FormulaC14H12F4N4O2
Molecular Weight344.27 g/mol
Exact Mass344.09
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)NN=Cc1ccccc1O
InChIInChI=1S/C14H12F4N4O2/c15-13(16)9-5-10(14(17)18)22(21-9)7-12(24)20-19-6-8-3-1-2-4-11(8)23/h1-6,13-14,23H,7H2,(H,20,24)
InChIKeyUJUHFDPFKPITOE-UHFFFAOYSA-N
XLogP2.61
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 52.61
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'-[(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
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-(1H-Benzotriazol-1-yl)-N'-(2-hydroxybenzylidene)acetohydrazide
CID 135479269
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 135576814
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide
CID 3375356
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 3414755

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide (CID 843287) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide is O=C(Cn1nc(C(F)F)cc1C(F)F)NN=Cc1ccccc1O.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is UJUHFDPFKPITOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N4O2/c15-13(16)9-5-10(14(17)18)22(21-9)7-12(24)20-19-6-8-3-1-2-4-11(8)23/h1-6,13-14,23H,7H2,(H,20,24).
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 344.27 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 843287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).