N'-hydroxy-5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide

C12H11F3N4O — CID 107930080

IUPACN'-hydroxy-5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
SMILESCc1ccc(-n2cc(C(F)(F)F)cn2)c(/C(N)=N/O)c1
InChIInChI=1S/C12H11F3N4O/c1-7-2-3-10(9(4-7)11(16)18-20)19-6-8(5-17-19)12(13,14)15/h2-6,20H,1H3,(H2,16,18)
InChIKeySPZVAHYTZSHHDS-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.29
Rot. Bonds2

About N'-hydroxy-5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide

N'-hydroxy-5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide (PubChem CID 107930080) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is N'-hydroxy-5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
PubChem CID107930080
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC NameN'-hydroxy-5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
SMILESCc1ccc(-n2cc(C(F)(F)F)cn2)c(/C(N)=N/O)c1
InChIInChI=1S/C12H11F3N4O/c1-7-2-3-10(9(4-7)11(16)18-20)19-6-8(5-17-19)12(13,14)15/h2-6,20H,1H3,(H2,16,18)
InChIKeySPZVAHYTZSHHDS-UHFFFAOYSA-N
XLogP2.29
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.29
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

5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarbothioamide
CID 107929444
4-chloro-N'-hydroxy-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
CID 77021985
3-chloro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
CID 77022005
2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 62307108
N'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide
CID 60872141
3,5-difluoro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
CID 81286132
2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 114017234
N'-hydroxy-5-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 107930064
2-(4-bromopyrazol-1-yl)-5-methylbenzenecarbothioamide
CID 107929433
2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
CID 125466399
2-(3,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide
CID 79177638
3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]isoquinolin-8-amine
CID 102713739

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide (CID 107930080) is N'-hydroxy-5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide is Cc1ccc(-n2cc(C(F)(F)F)cn2)c(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide?
The InChIKey is SPZVAHYTZSHHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-7-2-3-10(9(4-7)11(16)18-20)19-6-8(5-17-19)12(13,14)15/h2-6,20H,1H3,(H2,16,18).
What are the key properties of N'-hydroxy-5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide?
N'-hydroxy-5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide has a molecular weight of 284.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide is sourced from PubChem (CID 107930080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).