2-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)ethanimidamide

C11H13N5 — CID 121213813

IUPAC2-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cn(C)nc1-c1ccncc1
InChIInChI=1S/C11H13N5/c1-16-7-9(6-10(12)13)11(15-16)8-2-4-14-5-3-8/h2-5,7H,6H2,1H3,(H3,12,13)
InChIKeyLVSHIAQJONFAFC-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.96
Rot. Bonds3

About 2-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)ethanimidamide

2-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)ethanimidamide (PubChem CID 121213813) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)ethanimidamide.

Molecular Properties

Compound Name2-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)ethanimidamide
PubChem CID121213813
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name2-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cn(C)nc1-c1ccncc1
InChIInChI=1S/C11H13N5/c1-16-7-9(6-10(12)13)11(15-16)8-2-4-14-5-3-8/h2-5,7H,6H2,1H3,(H3,12,13)
InChIKeyLVSHIAQJONFAFC-UHFFFAOYSA-N
XLogP0.96
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.96
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-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)ethanimidamide?
The IUPAC name of 2-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)ethanimidamide (CID 121213813) is 2-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)ethanimidamide.
What is the SMILES notation for 2-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)ethanimidamide?
The canonical SMILES for 2-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)ethanimidamide is [H]/N=C(\N)Cc1cn(C)nc1-c1ccncc1.
What is the InChIKey of 2-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)ethanimidamide?
The InChIKey is LVSHIAQJONFAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-16-7-9(6-10(12)13)11(15-16)8-2-4-14-5-3-8/h2-5,7H,6H2,1H3,(H3,12,13).
What are the key properties of 2-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)ethanimidamide?
2-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)ethanimidamide has a molecular weight of 215.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)ethanimidamide is sourced from PubChem (CID 121213813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).