2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide

C13H17N5O2 — CID 116801421

IUPAC2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCCn1cc(Oc2nc(C)cc(C)c2/C(N)=N/O)cn1
InChIInChI=1S/C13H17N5O2/c1-4-18-7-10(6-15-18)20-13-11(12(14)17-19)8(2)5-9(3)16-13/h5-7,19H,4H2,1-3H3,(H2,14,17)
InChIKeyPJHFGKBTYCTLNH-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.80
Rot. Bonds4

About 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide

2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 116801421) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
PubChem CID116801421
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCCn1cc(Oc2nc(C)cc(C)c2/C(N)=N/O)cn1
InChIInChI=1S/C13H17N5O2/c1-4-18-7-10(6-15-18)20-13-11(12(14)17-19)8(2)5-9(3)16-13/h5-7,19H,4H2,1-3H3,(H2,14,17)
InChIKeyPJHFGKBTYCTLNH-UHFFFAOYSA-N
XLogP1.80
TPSA98.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.80
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-methylpyridine-3-carboximidamide
CID 116801405
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 116801422
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61228172
N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
CID 61176184
N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide
CID 77003380
2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61176370
N'-hydroxy-2-(3-methoxyphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175614
2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 114883564
4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide
CID 116801309
6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide
CID 136932336
2-(4-bromo-3-fluorophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 77059488
4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 116801391

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (CID 116801421) is 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is CCn1cc(Oc2nc(C)cc(C)c2/C(N)=N/O)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is PJHFGKBTYCTLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-4-18-7-10(6-15-18)20-13-11(12(14)17-19)8(2)5-9(3)16-13/h5-7,19H,4H2,1-3H3,(H2,14,17).
What are the key properties of 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 275.31 g/mol, XLogP of 1.80, 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-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 116801421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).