2-(2,5-dimethylpyrazol-3-yl)oxy-6-(trifluoromethyl)pyridine-3-carboximidamide

C12H12F3N5O — CID 81332807

IUPAC2-(2,5-dimethylpyrazol-3-yl)oxy-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1Oc1cc(C)nn1C
InChIInChI=1S/C12H12F3N5O/c1-6-5-9(20(2)19-6)21-11-7(10(16)17)3-4-8(18-11)12(13,14)15/h3-5H,1-2H3,(H3,16,17)
InChIKeyPIROOJIDMDWJEX-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.22
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)oxy-6-(trifluoromethyl)pyridine-3-carboximidamide

2-(2,5-dimethylpyrazol-3-yl)oxy-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 81332807) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)oxy-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)oxy-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID81332807
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)oxy-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1Oc1cc(C)nn1C
InChIInChI=1S/C12H12F3N5O/c1-6-5-9(20(2)19-6)21-11-7(10(16)17)3-4-8(18-11)12(13,14)15/h3-5H,1-2H3,(H3,16,17)
InChIKeyPIROOJIDMDWJEX-UHFFFAOYSA-N
XLogP2.22
TPSA89.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)oxy-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)oxy-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 81332807) is 2-(2,5-dimethylpyrazol-3-yl)oxy-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)oxy-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)oxy-6-(trifluoromethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)nc1Oc1cc(C)nn1C.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)oxy-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is PIROOJIDMDWJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O/c1-6-5-9(20(2)19-6)21-11-7(10(16)17)3-4-8(18-11)12(13,14)15/h3-5H,1-2H3,(H3,16,17).
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)oxy-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-(2,5-dimethylpyrazol-3-yl)oxy-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 299.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)oxy-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 81332807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).