2-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide

C13H17N5 — CID 61236499

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(-n2nc(C)c(CC)c2C)c1
InChIInChI=1S/C13H17N5/c1-4-11-8(2)17-18(9(11)3)12-7-10(13(14)15)5-6-16-12/h5-7H,4H2,1-3H3,(H3,14,15)
InChIKeyHAKAXNIAENMDDM-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.73
Rot. Bonds3

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide (PubChem CID 61236499) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide
PubChem CID61236499
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(-n2nc(C)c(CC)c2C)c1
InChIInChI=1S/C13H17N5/c1-4-11-8(2)17-18(9(11)3)12-7-10(13(14)15)5-6-16-12/h5-7H,4H2,1-3H3,(H3,14,15)
InChIKeyHAKAXNIAENMDDM-UHFFFAOYSA-N
XLogP1.73
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.73
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-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide (CID 61236499) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(-n2nc(C)c(CC)c2C)c1.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide?
The InChIKey is HAKAXNIAENMDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-4-11-8(2)17-18(9(11)3)12-7-10(13(14)15)5-6-16-12/h5-7H,4H2,1-3H3,(H3,14,15).
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide has a molecular weight of 243.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide is sourced from PubChem (CID 61236499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).