N'-hydroxy-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide

C6H7F3N4O — CID 2809242

IUPACN'-hydroxy-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide
SMILESNC(Cn1ccc(C(F)(F)F)n1)=NO
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)4-1-2-13(11-4)3-5(10)12-14/h1-2,14H,3H2,(H2,10,12)
InChIKeyAIGOOXOWJUXXMY-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.65
Rot. Bonds2

About N'-hydroxy-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide

N'-hydroxy-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide (PubChem CID 2809242) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is N'-hydroxy-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide
PubChem CID2809242
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC NameN'-hydroxy-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide
SMILESNC(Cn1ccc(C(F)(F)F)n1)=NO
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)4-1-2-13(11-4)3-5(10)12-14/h1-2,14H,3H2,(H2,10,12)
InChIKeyAIGOOXOWJUXXMY-UHFFFAOYSA-N
XLogP0.65
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.65
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 N'-hydroxy-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide (CID 2809242) is N'-hydroxy-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide is NC(Cn1ccc(C(F)(F)F)n1)=NO.
What is the InChIKey of N'-hydroxy-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide?
The InChIKey is AIGOOXOWJUXXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c7-6(8,9)4-1-2-13(11-4)3-5(10)12-14/h1-2,14H,3H2,(H2,10,12).
What are the key properties of N'-hydroxy-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide?
N'-hydroxy-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide has a molecular weight of 208.14 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide is sourced from PubChem (CID 2809242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).