2-fluoro-N'-hydroxy-6-pyrazol-1-ylbenzenecarboximidamide

C10H9FN4O — CID 79519881

IUPAC2-fluoro-N'-hydroxy-6-pyrazol-1-ylbenzenecarboximidamide
SMILESNC(=NO)c1c(F)cccc1-n1cccn1
InChIInChI=1S/C10H9FN4O/c11-7-3-1-4-8(9(7)10(12)14-16)15-6-2-5-13-15/h1-6,16H,(H2,12,14)
InChIKeyYAACQYSXOKBHQA-UHFFFAOYSA-N
MW220.21 g/mol
LogP1.11
Rot. Bonds2

About 2-fluoro-N'-hydroxy-6-pyrazol-1-ylbenzenecarboximidamide

2-fluoro-N'-hydroxy-6-pyrazol-1-ylbenzenecarboximidamide (PubChem CID 79519881) has the molecular formula C10H9FN4O and a molecular weight of 220.21 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-6-pyrazol-1-ylbenzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-6-pyrazol-1-ylbenzenecarboximidamide
PubChem CID79519881
Molecular FormulaC10H9FN4O
Molecular Weight220.21 g/mol
Exact Mass220.08
IUPAC Name2-fluoro-N'-hydroxy-6-pyrazol-1-ylbenzenecarboximidamide
SMILESNC(=NO)c1c(F)cccc1-n1cccn1
InChIInChI=1S/C10H9FN4O/c11-7-3-1-4-8(9(7)10(12)14-16)15-6-2-5-13-15/h1-6,16H,(H2,12,14)
InChIKeyYAACQYSXOKBHQA-UHFFFAOYSA-N
XLogP1.11
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-fluoro-N'-hydroxy-6-pyrazol-1-ylbenzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-6-pyrazol-1-ylbenzenecarboximidamide (CID 79519881) is 2-fluoro-N'-hydroxy-6-pyrazol-1-ylbenzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-6-pyrazol-1-ylbenzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-6-pyrazol-1-ylbenzenecarboximidamide is NC(=NO)c1c(F)cccc1-n1cccn1.
What is the InChIKey of 2-fluoro-N'-hydroxy-6-pyrazol-1-ylbenzenecarboximidamide?
The InChIKey is YAACQYSXOKBHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O/c11-7-3-1-4-8(9(7)10(12)14-16)15-6-2-5-13-15/h1-6,16H,(H2,12,14).
What are the key properties of 2-fluoro-N'-hydroxy-6-pyrazol-1-ylbenzenecarboximidamide?
2-fluoro-N'-hydroxy-6-pyrazol-1-ylbenzenecarboximidamide has a molecular weight of 220.21 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-6-pyrazol-1-ylbenzenecarboximidamide is sourced from PubChem (CID 79519881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).