6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide

C11H13N5O2 — CID 136932336

IUPAC6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide
SMILESCCn1cc(Oc2cccc(/C(N)=N/O)n2)cn1
InChIInChI=1S/C11H13N5O2/c1-2-16-7-8(6-13-16)18-10-5-3-4-9(14-10)11(12)15-17/h3-7,17H,2H2,1H3,(H2,12,15)
InChIKeyNOZCWXRCRHFMFN-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.18
Rot. Bonds4

About 6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide

6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136932336) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide
PubChem CID136932336
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide
SMILESCCn1cc(Oc2cccc(/C(N)=N/O)n2)cn1
InChIInChI=1S/C11H13N5O2/c1-2-16-7-8(6-13-16)18-10-5-3-4-9(14-10)11(12)15-17/h3-7,17H,2H2,1H3,(H2,12,15)
InChIKeyNOZCWXRCRHFMFN-UHFFFAOYSA-N
XLogP1.18
TPSA98.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 114883564
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 116801421
4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 116801391
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide
CID 116801405
[6-(1-ethylpyrazol-4-yl)oxy-2-methyl-3-pyridinyl]methanamine
CID 116802826
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 116801422
6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136745394
6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 170637109
4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266
4-(1-ethylpyrazol-4-yl)oxy-6-methoxypyrimidin-2-amine
CID 114053313
2-(1-ethylpyrazol-4-yl)oxypyridine-4-carboximidamide
CID 116801525
2-chloro-6-(1-ethylpyrazol-4-yl)oxypyrazine
CID 116801023

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide (CID 136932336) is 6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide is CCn1cc(Oc2cccc(/C(N)=N/O)n2)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is NOZCWXRCRHFMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-2-16-7-8(6-13-16)18-10-5-3-4-9(14-10)11(12)15-17/h3-7,17H,2H2,1H3,(H2,12,15).
What are the key properties of 6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide?
6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 247.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136932336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).