3-chloro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide

C11H8ClF3N4O — CID 77022005

IUPAC3-chloro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
SMILESNC(=NO)c1ccc(-n2cc(C(F)(F)F)cn2)c(Cl)c1
InChIInChI=1S/C11H8ClF3N4O/c12-8-3-6(10(16)18-20)1-2-9(8)19-5-7(4-17-19)11(13,14)15/h1-5,20H,(H2,16,18)
InChIKeyUZNMGYHQOKMJBI-UHFFFAOYSA-N
MW304.66 g/mol
LogP2.64
Rot. Bonds2

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

3-chloro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide (PubChem CID 77022005) has the molecular formula C11H8ClF3N4O and a molecular weight of 304.66 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
PubChem CID77022005
Molecular FormulaC11H8ClF3N4O
Molecular Weight304.66 g/mol
Exact Mass304.03
IUPAC Name3-chloro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
SMILESNC(=NO)c1ccc(-n2cc(C(F)(F)F)cn2)c(Cl)c1
InChIInChI=1S/C11H8ClF3N4O/c12-8-3-6(10(16)18-20)1-2-9(8)19-5-7(4-17-19)11(13,14)15/h1-5,20H,(H2,16,18)
InChIKeyUZNMGYHQOKMJBI-UHFFFAOYSA-N
XLogP2.64
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 52.64
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-chloro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide (CID 77022005) is 3-chloro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide is NC(=NO)c1ccc(-n2cc(C(F)(F)F)cn2)c(Cl)c1.
What is the InChIKey of 3-chloro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide?
The InChIKey is UZNMGYHQOKMJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N4O/c12-8-3-6(10(16)18-20)1-2-9(8)19-5-7(4-17-19)11(13,14)15/h1-5,20H,(H2,16,18).
What are the key properties of 3-chloro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide?
3-chloro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide has a molecular weight of 304.66 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide is sourced from PubChem (CID 77022005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).