1-ethyl-3,5-dimethylpyrazole-4-carboximidamide

C8H14N4 — CID 130631217

IUPAC1-ethyl-3,5-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(CC)c1C
InChIInChI=1S/C8H14N4/c1-4-12-6(3)7(8(9)10)5(2)11-12/h4H2,1-3H3,(H3,9,10)
InChIKeyMCIPTSQPCPYAMR-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.80
Rot. Bonds2

About 1-ethyl-3,5-dimethylpyrazole-4-carboximidamide

1-ethyl-3,5-dimethylpyrazole-4-carboximidamide (PubChem CID 130631217) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethylpyrazole-4-carboximidamide
PubChem CID130631217
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-ethyl-3,5-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(CC)c1C
InChIInChI=1S/C8H14N4/c1-4-12-6(3)7(8(9)10)5(2)11-12/h4H2,1-3H3,(H3,9,10)
InChIKeyMCIPTSQPCPYAMR-UHFFFAOYSA-N
XLogP0.80
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.80
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 1-ethyl-3,5-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 1-ethyl-3,5-dimethylpyrazole-4-carboximidamide (CID 130631217) is 1-ethyl-3,5-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 1-ethyl-3,5-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 1-ethyl-3,5-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(CC)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethylpyrazole-4-carboximidamide?
The InChIKey is MCIPTSQPCPYAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-4-12-6(3)7(8(9)10)5(2)11-12/h4H2,1-3H3,(H3,9,10).
What are the key properties of 1-ethyl-3,5-dimethylpyrazole-4-carboximidamide?
1-ethyl-3,5-dimethylpyrazole-4-carboximidamide has a molecular weight of 166.23 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 130631217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).