4-chloro-N'-hydroxy-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide

C11H8ClF3N4O — CID 77021985

IUPAC4-chloro-N'-hydroxy-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
SMILESNC(=NO)c1ccc(Cl)cc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C11H8ClF3N4O/c12-7-1-2-8(10(16)18-20)9(3-7)19-5-6(4-17-19)11(13,14)15/h1-5,20H,(H2,16,18)
InChIKeyKRAIIUSELCGSIY-UHFFFAOYSA-N
MW304.66 g/mol
LogP2.64
Rot. Bonds2

About 4-chloro-N'-hydroxy-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide

4-chloro-N'-hydroxy-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide (PubChem CID 77021985) has the molecular formula C11H8ClF3N4O and a molecular weight of 304.66 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
PubChem CID77021985
Molecular FormulaC11H8ClF3N4O
Molecular Weight304.66 g/mol
Exact Mass304.03
IUPAC Name4-chloro-N'-hydroxy-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
SMILESNC(=NO)c1ccc(Cl)cc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C11H8ClF3N4O/c12-7-1-2-8(10(16)18-20)9(3-7)19-5-6(4-17-19)11(13,14)15/h1-5,20H,(H2,16,18)
InChIKeyKRAIIUSELCGSIY-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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Related Compounds

2-(4-bromopyrazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide
CID 55182153
N'-hydroxy-5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
CID 107930080
3-chloro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
CID 77022005
2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 62307108
3,5-difluoro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
CID 81286132
4-chloro-N'-hydroxy-2-(3-propan-2-ylpyrazol-1-yl)benzenecarboximidamide
CID 76984837
1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole
CID 84803212
5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 82490852
4-chloro-2-(3,4-dimethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 79187962
5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarbothioamide
CID 107929444
N'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide
CID 60872141
4-chloro-2-(4-phenylpyrazol-1-yl)benzenecarbothioamide
CID 63094017

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-hydroxy-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide (CID 77021985) is 4-chloro-N'-hydroxy-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide is NC(=NO)c1ccc(Cl)cc1-n1cc(C(F)(F)F)cn1.
What is the InChIKey of 4-chloro-N'-hydroxy-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide?
The InChIKey is KRAIIUSELCGSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N4O/c12-7-1-2-8(10(16)18-20)9(3-7)19-5-6(4-17-19)11(13,14)15/h1-5,20H,(H2,16,18).
What are the key properties of 4-chloro-N'-hydroxy-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide?
4-chloro-N'-hydroxy-2-[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 4-chloro-N'-hydroxy-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide is sourced from PubChem (CID 77021985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).