4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide

C12H11F3N4O — CID 116792854

IUPAC4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cnn(C)c2)cc1C(F)(F)F
InChIInChI=1S/C12H11F3N4O/c1-19-6-8(5-18-19)20-7-2-3-9(11(16)17)10(4-7)12(13,14)15/h2-6H,1H3,(H3,16,17)
InChIKeyFEGPCHOQODOMKK-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.52
Rot. Bonds3

About 4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide

4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 116792854) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID116792854
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cnn(C)c2)cc1C(F)(F)F
InChIInChI=1S/C12H11F3N4O/c1-19-6-8(5-18-19)20-7-2-3-9(11(16)17)10(4-7)12(13,14)15/h2-6H,1H3,(H3,16,17)
InChIKeyFEGPCHOQODOMKK-UHFFFAOYSA-N
XLogP2.52
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.52
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'}

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Related Compounds

5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide
CID 107930884
4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide
CID 43138698
4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide
CID 106665829
3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide
CID 102747205
4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine
CID 106748568
2-(1-methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carboxamide
CID 116792710
4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 62488493
4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide
CID 62200669
2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79876803
1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanone
CID 116792877
[4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol
CID 116793015
[4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol
CID 116801965

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide (CID 116792854) is 4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cnn(C)c2)cc1C(F)(F)F.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is FEGPCHOQODOMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-19-6-8(5-18-19)20-7-2-3-9(11(16)17)10(4-7)12(13,14)15/h2-6H,1H3,(H3,16,17).
What are the key properties of 4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide?
4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 284.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 116792854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).