4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)benzenecarboximidamide

C12H11F3N4 — CID 62488493

IUPAC4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2ccc(C)n2)cc1C(F)(F)F
InChIInChI=1S/C12H11F3N4/c1-7-4-5-19(18-7)8-2-3-9(11(16)17)10(6-8)12(13,14)15/h2-6H,1H3,(H3,16,17)
InChIKeyOOQOQILYUUNUFD-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.48
Rot. Bonds2

About 4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)benzenecarboximidamide

4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 62488493) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID62488493
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2ccc(C)n2)cc1C(F)(F)F
InChIInChI=1S/C12H11F3N4/c1-7-4-5-19(18-7)8-2-3-9(11(16)17)10(6-8)12(13,14)15/h2-6H,1H3,(H3,16,17)
InChIKeyOOQOQILYUUNUFD-UHFFFAOYSA-N
XLogP2.48
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)benzenecarboximidamide (CID 62488493) is 4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(-n2ccc(C)n2)cc1C(F)(F)F.
What is the InChIKey of 4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is OOQOQILYUUNUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c1-7-4-5-19(18-7)8-2-3-9(11(16)17)10(6-8)12(13,14)15/h2-6H,1H3,(H3,16,17).
What are the key properties of 4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 268.24 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 62488493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).