3,5-difluoro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide

C11H7F5N4O — CID 81286132

IUPAC3,5-difluoro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)c(-n2cc(C(F)(F)F)cn2)c(F)c1
InChIInChI=1S/C11H7F5N4O/c12-7-1-5(10(17)19-21)2-8(13)9(7)20-4-6(3-18-20)11(14,15)16/h1-4,21H,(H2,17,19)
InChIKeyMDUJAPNYQZYMNL-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.26
Rot. Bonds2

About 3,5-difluoro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide

3,5-difluoro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide (PubChem CID 81286132) has the molecular formula C11H7F5N4O and a molecular weight of 306.19 g/mol. Its IUPAC name is 3,5-difluoro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
PubChem CID81286132
Molecular FormulaC11H7F5N4O
Molecular Weight306.19 g/mol
Exact Mass306.05
IUPAC Name3,5-difluoro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)c(-n2cc(C(F)(F)F)cn2)c(F)c1
InChIInChI=1S/C11H7F5N4O/c12-7-1-5(10(17)19-21)2-8(13)9(7)20-4-6(3-18-20)11(14,15)16/h1-4,21H,(H2,17,19)
InChIKeyMDUJAPNYQZYMNL-UHFFFAOYSA-N
XLogP2.26
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.26
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 3,5-difluoro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide?
The IUPAC name of 3,5-difluoro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide (CID 81286132) is 3,5-difluoro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide is N/C(=N/O)c1cc(F)c(-n2cc(C(F)(F)F)cn2)c(F)c1.
What is the InChIKey of 3,5-difluoro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide?
The InChIKey is MDUJAPNYQZYMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N4O/c12-7-1-5(10(17)19-21)2-8(13)9(7)20-4-6(3-18-20)11(14,15)16/h1-4,21H,(H2,17,19).
What are the key properties of 3,5-difluoro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide?
3,5-difluoro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide has a molecular weight of 306.19 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide is sourced from PubChem (CID 81286132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).