2-fluoro-N'-hydroxy-6-[3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide

C11H8F4N4O — CID 79519446

IUPAC2-fluoro-N'-hydroxy-6-[3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
SMILESNC(=NO)c1c(F)cccc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H8F4N4O/c12-6-2-1-3-7(9(6)10(16)18-20)19-5-4-8(17-19)11(13,14)15/h1-5,20H,(H2,16,18)
InChIKeyXUTAOIQRCRHVIC-UHFFFAOYSA-N
MW288.20 g/mol
LogP2.12
Rot. Bonds2

About 2-fluoro-N'-hydroxy-6-[3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide

2-fluoro-N'-hydroxy-6-[3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide (PubChem CID 79519446) has the molecular formula C11H8F4N4O and a molecular weight of 288.20 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-6-[3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-6-[3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
PubChem CID79519446
Molecular FormulaC11H8F4N4O
Molecular Weight288.20 g/mol
Exact Mass288.06
IUPAC Name2-fluoro-N'-hydroxy-6-[3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
SMILESNC(=NO)c1c(F)cccc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H8F4N4O/c12-6-2-1-3-7(9(6)10(16)18-20)19-5-4-8(17-19)11(13,14)15/h1-5,20H,(H2,16,18)
InChIKeyXUTAOIQRCRHVIC-UHFFFAOYSA-N
XLogP2.12
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 52.12
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'}

Analyze 2-fluoro-N'-hydroxy-6-[3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-hydroxy-6-[3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-6-[3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide (CID 79519446) is 2-fluoro-N'-hydroxy-6-[3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-6-[3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-6-[3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide is NC(=NO)c1c(F)cccc1-n1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-fluoro-N'-hydroxy-6-[3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide?
The InChIKey is XUTAOIQRCRHVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N4O/c12-6-2-1-3-7(9(6)10(16)18-20)19-5-4-8(17-19)11(13,14)15/h1-5,20H,(H2,16,18).
What are the key properties of 2-fluoro-N'-hydroxy-6-[3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide?
2-fluoro-N'-hydroxy-6-[3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide has a molecular weight of 288.20 g/mol, XLogP of 2.12, 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-[3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide is sourced from PubChem (CID 79519446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).