5-(4-ethoxypyrazol-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide

C12H22N4O2 — CID 114274001

IUPAC5-(4-ethoxypyrazol-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCOc1cnn(CCCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C12H22N4O2/c1-4-18-10-8-14-16(9-10)7-5-6-12(2,3)11(13)15-17/h8-9,17H,4-7H2,1-3H3,(H2,13,15)
InChIKeyRUKDRCOZPGLRAQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.83
Rot. Bonds7

About 5-(4-ethoxypyrazol-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(4-ethoxypyrazol-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 114274001) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-(4-ethoxypyrazol-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(4-ethoxypyrazol-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID114274001
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name5-(4-ethoxypyrazol-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCOc1cnn(CCCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C12H22N4O2/c1-4-18-10-8-14-16(9-10)7-5-6-12(2,3)11(13)15-17/h8-9,17H,4-7H2,1-3H3,(H2,13,15)
InChIKeyRUKDRCOZPGLRAQ-UHFFFAOYSA-N
XLogP1.83
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-(4-ethoxypyrazol-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(4-ethoxypyrazol-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 114274001) is 5-(4-ethoxypyrazol-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(4-ethoxypyrazol-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(4-ethoxypyrazol-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide is CCOc1cnn(CCCC(C)(C)C(N)=NO)c1.
What is the InChIKey of 5-(4-ethoxypyrazol-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is RUKDRCOZPGLRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-18-10-8-14-16(9-10)7-5-6-12(2,3)11(13)15-17/h8-9,17H,4-7H2,1-3H3,(H2,13,15).
What are the key properties of 5-(4-ethoxypyrazol-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(4-ethoxypyrazol-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 254.33 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxypyrazol-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 114274001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).