2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybutanimidamide

C11H20N4O — CID 82695392

IUPAC2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybutanimidamide
SMILESCCc1cc(CC)n(C(CC)/C(N)=N/O)n1
InChIInChI=1S/C11H20N4O/c1-4-8-7-9(5-2)15(13-8)10(6-3)11(12)14-16/h7,10,16H,4-6H2,1-3H3,(H2,12,14)
InChIKeyXVUORFKQGNBTBI-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.71
Rot. Bonds5

About 2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybutanimidamide

2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybutanimidamide (PubChem CID 82695392) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybutanimidamide
PubChem CID82695392
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybutanimidamide
SMILESCCc1cc(CC)n(C(CC)/C(N)=N/O)n1
InChIInChI=1S/C11H20N4O/c1-4-8-7-9(5-2)15(13-8)10(6-3)11(12)14-16/h7,10,16H,4-6H2,1-3H3,(H2,12,14)
InChIKeyXVUORFKQGNBTBI-UHFFFAOYSA-N
XLogP1.71
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.71
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybutanimidamide (CID 82695392) is 2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybutanimidamide is CCc1cc(CC)n(C(CC)/C(N)=N/O)n1.
What is the InChIKey of 2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybutanimidamide?
The InChIKey is XVUORFKQGNBTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-8-7-9(5-2)15(13-8)10(6-3)11(12)14-16/h7,10,16H,4-6H2,1-3H3,(H2,12,14).
What are the key properties of 2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybutanimidamide?
2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybutanimidamide has a molecular weight of 224.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 82695392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).