2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide

C12H15N5O2 — CID 116801405

IUPAC2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide
SMILESCCn1cc(Oc2nccc(C)c2/C(N)=N/O)cn1
InChIInChI=1S/C12H15N5O2/c1-3-17-7-9(6-15-17)19-12-10(11(13)16-18)8(2)4-5-14-12/h4-7,18H,3H2,1-2H3,(H2,13,16)
InChIKeyBPCZGUFJQYHZAY-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.49
Rot. Bonds4

About 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide

2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide (PubChem CID 116801405) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide
PubChem CID116801405
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide
SMILESCCn1cc(Oc2nccc(C)c2/C(N)=N/O)cn1
InChIInChI=1S/C12H15N5O2/c1-3-17-7-9(6-15-17)19-12-10(11(13)16-18)8(2)4-5-14-12/h4-7,18H,3H2,1-2H3,(H2,13,16)
InChIKeyBPCZGUFJQYHZAY-UHFFFAOYSA-N
XLogP1.49
TPSA98.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.49
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-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 116801421
3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine
CID 106878112
2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 114883564
4-methyl-2-(1-propylpyrazol-4-yl)oxypyridin-3-amine
CID 116800363
6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide
CID 136932336
2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide
CID 107284633
4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 116801391
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 116801422
4-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboximidamide
CID 116801560
4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide
CID 116801295
N-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391771
4-(1-ethylpyrazol-4-yl)oxypyridin-2-amine
CID 116805835

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide (CID 116801405) is 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide is CCn1cc(Oc2nccc(C)c2/C(N)=N/O)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide?
The InChIKey is BPCZGUFJQYHZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-3-17-7-9(6-15-17)19-12-10(11(13)16-18)8(2)4-5-14-12/h4-7,18H,3H2,1-2H3,(H2,13,16).
What are the key properties of 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide?
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide has a molecular weight of 261.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide is sourced from PubChem (CID 116801405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).