5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide

C11H16N6 — CID 55241555

IUPAC5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1-n1cnc(C)c1C
InChIInChI=1S/C11H16N6/c1-6-8(3)17(5-14-6)11-9(10(12)13)7(2)15-16(11)4/h5H,1-4H3,(H3,12,13)
InChIKeyDIAOZSSRYBYYQQ-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.82
Rot. Bonds2

About 5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide

5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 55241555) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID55241555
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1-n1cnc(C)c1C
InChIInChI=1S/C11H16N6/c1-6-8(3)17(5-14-6)11-9(10(12)13)7(2)15-16(11)4/h5H,1-4H3,(H3,12,13)
InChIKeyDIAOZSSRYBYYQQ-UHFFFAOYSA-N
XLogP0.82
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.82
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 5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide (CID 55241555) is 5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1-n1cnc(C)c1C.
What is the InChIKey of 5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is DIAOZSSRYBYYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-6-8(3)17(5-14-6)11-9(10(12)13)7(2)15-16(11)4/h5H,1-4H3,(H3,12,13).
What are the key properties of 5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 232.29 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 55241555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).