5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide

C11H11BrN4O — CID 114893362

IUPAC5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Oc1cc(C)[nH]n1
InChIInChI=1S/C11H11BrN4O/c1-6-4-10(16-15-6)17-9-3-2-7(12)5-8(9)11(13)14/h2-5H,1H3,(H3,13,14)(H,15,16)
InChIKeyCNKOHVOYCFOROR-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.56
Rot. Bonds3

About 5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide

5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide (PubChem CID 114893362) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
PubChem CID114893362
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Oc1cc(C)[nH]n1
InChIInChI=1S/C11H11BrN4O/c1-6-4-10(16-15-6)17-9-3-2-7(12)5-8(9)11(13)14/h2-5H,1H3,(H3,13,14)(H,15,16)
InChIKeyCNKOHVOYCFOROR-UHFFFAOYSA-N
XLogP2.56
TPSA87.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 114893289
5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174838
5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide
CID 114893227
5-bromo-2-butoxybenzenecarboximidamide
CID 114893278
3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
CID 81342133
5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114893307
5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114893388
3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline
CID 81342669
5-bromo-2-(3-chlorophenoxy)benzenecarboximidamide
CID 114893186
5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide
CID 114893189
5-bromo-2-(4-butylphenoxy)benzenecarboximidamide
CID 114893367
5-bromo-2-(3-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 114893294

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide?
The IUPAC name of 5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide (CID 114893362) is 5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide?
The canonical SMILES for 5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide is [H]/N=C(\N)c1cc(Br)ccc1Oc1cc(C)[nH]n1.
What is the InChIKey of 5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide?
The InChIKey is CNKOHVOYCFOROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-6-4-10(16-15-6)17-9-3-2-7(12)5-8(9)11(13)14/h2-5H,1H3,(H3,13,14)(H,15,16).
What are the key properties of 5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide?
5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide has a molecular weight of 295.14 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide is sourced from PubChem (CID 114893362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).