2-(3-cyclopropyl-1-propan-2-ylpyrazol-4-yl)ethanimidamide

C11H18N4 — CID 112713474

IUPAC2-(3-cyclopropyl-1-propan-2-ylpyrazol-4-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cn(C(C)C)nc1C1CC1
InChIInChI=1S/C11H18N4/c1-7(2)15-6-9(5-10(12)13)11(14-15)8-3-4-8/h6-8H,3-5H2,1-2H3,(H3,12,13)
InChIKeyMZOUBZXUAWLPNU-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.82
Rot. Bonds4

About 2-(3-cyclopropyl-1-propan-2-ylpyrazol-4-yl)ethanimidamide

2-(3-cyclopropyl-1-propan-2-ylpyrazol-4-yl)ethanimidamide (PubChem CID 112713474) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1-propan-2-ylpyrazol-4-yl)ethanimidamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-1-propan-2-ylpyrazol-4-yl)ethanimidamide
PubChem CID112713474
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-(3-cyclopropyl-1-propan-2-ylpyrazol-4-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cn(C(C)C)nc1C1CC1
InChIInChI=1S/C11H18N4/c1-7(2)15-6-9(5-10(12)13)11(14-15)8-3-4-8/h6-8H,3-5H2,1-2H3,(H3,12,13)
InChIKeyMZOUBZXUAWLPNU-UHFFFAOYSA-N
XLogP1.82
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.82
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 2-(3-cyclopropyl-1-propan-2-ylpyrazol-4-yl)ethanimidamide?
The IUPAC name of 2-(3-cyclopropyl-1-propan-2-ylpyrazol-4-yl)ethanimidamide (CID 112713474) is 2-(3-cyclopropyl-1-propan-2-ylpyrazol-4-yl)ethanimidamide.
What is the SMILES notation for 2-(3-cyclopropyl-1-propan-2-ylpyrazol-4-yl)ethanimidamide?
The canonical SMILES for 2-(3-cyclopropyl-1-propan-2-ylpyrazol-4-yl)ethanimidamide is [H]/N=C(\N)Cc1cn(C(C)C)nc1C1CC1.
What is the InChIKey of 2-(3-cyclopropyl-1-propan-2-ylpyrazol-4-yl)ethanimidamide?
The InChIKey is MZOUBZXUAWLPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-7(2)15-6-9(5-10(12)13)11(14-15)8-3-4-8/h6-8H,3-5H2,1-2H3,(H3,12,13).
What are the key properties of 2-(3-cyclopropyl-1-propan-2-ylpyrazol-4-yl)ethanimidamide?
2-(3-cyclopropyl-1-propan-2-ylpyrazol-4-yl)ethanimidamide has a molecular weight of 206.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1-propan-2-ylpyrazol-4-yl)ethanimidamide is sourced from PubChem (CID 112713474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).