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

C17H16F2N4O3 — CID 87276165

IUPAC5-(5-fluoro-2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide
SMILESCc1nn(-c2ccc(O)cc2F)c(-c2c(C)oc(F)c2C)c1/C(N)=N/O
InChIInChI=1S/C17H16F2N4O3/c1-7-13(9(3)26-16(7)19)15-14(17(20)22-25)8(2)21-23(15)12-5-4-10(24)6-11(12)18/h4-6,24-25H,1-3H3,(H2,20,22)
InChIKeyFDDHKLMCMDKZCF-UHFFFAOYSA-N
MW362.34 g/mol
LogP3.14
Rot. Bonds3

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

5-(5-fluoro-2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide (PubChem CID 87276165) has the molecular formula C17H16F2N4O3 and a molecular weight of 362.34 g/mol. Its IUPAC name is 5-(5-fluoro-2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(5-fluoro-2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide
PubChem CID87276165
Molecular FormulaC17H16F2N4O3
Molecular Weight362.34 g/mol
Exact Mass362.12
IUPAC Name5-(5-fluoro-2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide
SMILESCc1nn(-c2ccc(O)cc2F)c(-c2c(C)oc(F)c2C)c1/C(N)=N/O
InChIInChI=1S/C17H16F2N4O3/c1-7-13(9(3)26-16(7)19)15-14(17(20)22-25)8(2)21-23(15)12-5-4-10(24)6-11(12)18/h4-6,24-25H,1-3H3,(H2,20,22)
InChIKeyFDDHKLMCMDKZCF-UHFFFAOYSA-N
XLogP3.14
TPSA109.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 53.14
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-(5-fluoro-2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide?
The IUPAC name of 5-(5-fluoro-2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide (CID 87276165) is 5-(5-fluoro-2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(5-fluoro-2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(5-fluoro-2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide is Cc1nn(-c2ccc(O)cc2F)c(-c2c(C)oc(F)c2C)c1/C(N)=N/O.
What is the InChIKey of 5-(5-fluoro-2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide?
The InChIKey is FDDHKLMCMDKZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O3/c1-7-13(9(3)26-16(7)19)15-14(17(20)22-25)8(2)21-23(15)12-5-4-10(24)6-11(12)18/h4-6,24-25H,1-3H3,(H2,20,22).
What are the key properties of 5-(5-fluoro-2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide?
5-(5-fluoro-2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide has a molecular weight of 362.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-3-methylpyrazole-4-carboximidamide is sourced from PubChem (CID 87276165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).