5-(2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide

C17H17FN4O3 — CID 87276171

IUPAC5-(2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide
SMILESCc1coc(C)c1-c1c(/C(N)=N/O)c(C)nn1-c1ccc(O)cc1F
InChIInChI=1S/C17H17FN4O3/c1-8-7-25-10(3)14(8)16-15(17(19)21-24)9(2)20-22(16)13-5-4-11(23)6-12(13)18/h4-7,23-24H,1-3H3,(H2,19,21)
InChIKeyUPFXHPMZJIMVRH-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.00
Rot. Bonds3

About 5-(2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide

5-(2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide (PubChem CID 87276171) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is 5-(2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide
PubChem CID87276171
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name5-(2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide
SMILESCc1coc(C)c1-c1c(/C(N)=N/O)c(C)nn1-c1ccc(O)cc1F
InChIInChI=1S/C17H17FN4O3/c1-8-7-25-10(3)14(8)16-15(17(19)21-24)9(2)20-22(16)13-5-4-11(23)6-12(13)18/h4-7,23-24H,1-3H3,(H2,19,21)
InChIKeyUPFXHPMZJIMVRH-UHFFFAOYSA-N
XLogP3.00
TPSA109.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 5-(2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide?
The IUPAC name of 5-(2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide (CID 87276171) is 5-(2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide is Cc1coc(C)c1-c1c(/C(N)=N/O)c(C)nn1-c1ccc(O)cc1F.
What is the InChIKey of 5-(2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide?
The InChIKey is UPFXHPMZJIMVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-8-7-25-10(3)14(8)16-15(17(19)21-24)9(2)20-22(16)13-5-4-11(23)6-12(13)18/h4-7,23-24H,1-3H3,(H2,19,21).
What are the key properties of 5-(2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide?
5-(2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide has a molecular weight of 344.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide is sourced from PubChem (CID 87276171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).