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

C13H13F3N4O — CID 77043871

IUPACN'-hydroxy-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanimidamide
SMILESNC(=NO)C(Cn1ccc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)11-6-7-20(18-11)8-10(12(17)19-21)9-4-2-1-3-5-9/h1-7,10,21H,8H2,(H2,17,19)
InChIKeyWRAACTHXLDALSY-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.43
Rot. Bonds4

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

N'-hydroxy-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanimidamide (PubChem CID 77043871) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is N'-hydroxy-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanimidamide
PubChem CID77043871
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC NameN'-hydroxy-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanimidamide
SMILESNC(=NO)C(Cn1ccc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)11-6-7-20(18-11)8-10(12(17)19-21)9-4-2-1-3-5-9/h1-7,10,21H,8H2,(H2,17,19)
InChIKeyWRAACTHXLDALSY-UHFFFAOYSA-N
XLogP2.43
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.43
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-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanimidamide (CID 77043871) is N'-hydroxy-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanimidamide is NC(=NO)C(Cn1ccc(C(F)(F)F)n1)c1ccccc1.
What is the InChIKey of N'-hydroxy-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanimidamide?
The InChIKey is WRAACTHXLDALSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c14-13(15,16)11-6-7-20(18-11)8-10(12(17)19-21)9-4-2-1-3-5-9/h1-7,10,21H,8H2,(H2,17,19).
What are the key properties of N'-hydroxy-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanimidamide?
N'-hydroxy-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanimidamide has a molecular weight of 298.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanimidamide is sourced from PubChem (CID 77043871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).