2-(4-chloro-3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide

C11H9ClF3N5 — CID 79877331

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1-n1cc(Cl)c(C)n1
InChIInChI=1S/C11H9ClF3N5/c1-5-7(12)4-20(19-5)10-6(9(16)17)2-3-8(18-10)11(13,14)15/h2-4H,1H3,(H3,16,17)
InChIKeyCHHOYBZABHUPSG-UHFFFAOYSA-N
MW303.68 g/mol
LogP2.53
Rot. Bonds2

About 2-(4-chloro-3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide

2-(4-chloro-3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79877331) has the molecular formula C11H9ClF3N5 and a molecular weight of 303.68 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79877331
Molecular FormulaC11H9ClF3N5
Molecular Weight303.68 g/mol
Exact Mass303.05
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1-n1cc(Cl)c(C)n1
InChIInChI=1S/C11H9ClF3N5/c1-5-7(12)4-20(19-5)10-6(9(16)17)2-3-8(18-10)11(13,14)15/h2-4H,1H3,(H3,16,17)
InChIKeyCHHOYBZABHUPSG-UHFFFAOYSA-N
XLogP2.53
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.68
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79877331) is 2-(4-chloro-3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)nc1-n1cc(Cl)c(C)n1.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is CHHOYBZABHUPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N5/c1-5-7(12)4-20(19-5)10-6(9(16)17)2-3-8(18-10)11(13,14)15/h2-4H,1H3,(H3,16,17).
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-(4-chloro-3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 303.68 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79877331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).