2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide

C12H13BrN4O2 — CID 114883564

IUPAC2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
SMILESCCn1cc(Oc2cccc(Br)c2/C(N)=N/O)cn1
InChIInChI=1S/C12H13BrN4O2/c1-2-17-7-8(6-15-17)19-10-5-3-4-9(13)11(10)12(14)16-18/h3-7,18H,2H2,1H3,(H2,14,16)
InChIKeyLIWMZURTMZAJDI-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.55
Rot. Bonds4

About 2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide

2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide (PubChem CID 114883564) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
PubChem CID114883564
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
SMILESCCn1cc(Oc2cccc(Br)c2/C(N)=N/O)cn1
InChIInChI=1S/C12H13BrN4O2/c1-2-17-7-8(6-15-17)19-10-5-3-4-9(13)11(10)12(14)16-18/h3-7,18H,2H2,1H3,(H2,14,16)
InChIKeyLIWMZURTMZAJDI-UHFFFAOYSA-N
XLogP2.55
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.55
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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Related Compounds

2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide
CID 116801405
6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide
CID 136932336
2-bromo-6-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 114888731
4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 116801391
2-(1-ethylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarbothioamide
CID 116801312
5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114892810
2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide
CID 114883406
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 116801421
3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide
CID 116801318
4-(4-bromophenoxy)-1-ethylpyrazole
CID 117229573
2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107169381
5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114893388

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide (CID 114883564) is 2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide is CCn1cc(Oc2cccc(Br)c2/C(N)=N/O)cn1.
What is the InChIKey of 2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide?
The InChIKey is LIWMZURTMZAJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-2-17-7-8(6-15-17)19-10-5-3-4-9(13)11(10)12(14)16-18/h3-7,18H,2H2,1H3,(H2,14,16).
What are the key properties of 2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide?
2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide has a molecular weight of 325.17 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114883564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).