2-(1-butan-2-ylpyrazol-4-yl)ethanimidamide

C9H16N4 — CID 112712320

IUPAC2-(1-butan-2-ylpyrazol-4-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cnn(C(C)CC)c1
InChIInChI=1S/C9H16N4/c1-3-7(2)13-6-8(5-12-13)4-9(10)11/h5-7H,3-4H2,1-2H3,(H3,10,11)
InChIKeyMATLTBKRLJXYPM-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.33
Rot. Bonds4

About 2-(1-butan-2-ylpyrazol-4-yl)ethanimidamide

2-(1-butan-2-ylpyrazol-4-yl)ethanimidamide (PubChem CID 112712320) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-4-yl)ethanimidamide.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-4-yl)ethanimidamide
PubChem CID112712320
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-(1-butan-2-ylpyrazol-4-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cnn(C(C)CC)c1
InChIInChI=1S/C9H16N4/c1-3-7(2)13-6-8(5-12-13)4-9(10)11/h5-7H,3-4H2,1-2H3,(H3,10,11)
InChIKeyMATLTBKRLJXYPM-UHFFFAOYSA-N
XLogP1.33
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.33
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-(1-butan-2-ylpyrazol-4-yl)ethanimidamide?
The IUPAC name of 2-(1-butan-2-ylpyrazol-4-yl)ethanimidamide (CID 112712320) is 2-(1-butan-2-ylpyrazol-4-yl)ethanimidamide.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-4-yl)ethanimidamide?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-4-yl)ethanimidamide is [H]/N=C(\N)Cc1cnn(C(C)CC)c1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-4-yl)ethanimidamide?
The InChIKey is MATLTBKRLJXYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-7(2)13-6-8(5-12-13)4-9(10)11/h5-7H,3-4H2,1-2H3,(H3,10,11).
What are the key properties of 2-(1-butan-2-ylpyrazol-4-yl)ethanimidamide?
2-(1-butan-2-ylpyrazol-4-yl)ethanimidamide has a molecular weight of 180.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-4-yl)ethanimidamide is sourced from PubChem (CID 112712320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).