5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide

C12H13BrN4O — CID 114893388

IUPAC5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Oc1cnn(CC)c1
InChIInChI=1S/C12H13BrN4O/c1-2-17-7-9(6-16-17)18-11-4-3-8(13)5-10(11)12(14)15/h3-7H,2H2,1H3,(H3,14,15)
InChIKeyXPWPNRXBIZOXMZ-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.74
Rot. Bonds4

About 5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide

5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide (PubChem CID 114893388) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide
PubChem CID114893388
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Oc1cnn(CC)c1
InChIInChI=1S/C12H13BrN4O/c1-2-17-7-9(6-16-17)18-11-4-3-8(13)5-10(11)12(14)15/h3-7H,2H2,1H3,(H3,14,15)
InChIKeyXPWPNRXBIZOXMZ-UHFFFAOYSA-N
XLogP2.74
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114904944
5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzoic acid
CID 114896196
5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 116801547
5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide
CID 114893227
5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114892810
5-bromo-2-(4-butylphenoxy)benzenecarboximidamide
CID 114893367
5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114893307
1-[5-bromo-2-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 114061875
5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide
CID 107930884
5-bromo-2-butoxybenzenecarboximidamide
CID 114893278
5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174838
4-(4-bromophenoxy)-1-ethylpyrazole
CID 117229573

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide?
The IUPAC name of 5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide (CID 114893388) is 5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide?
The canonical SMILES for 5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide is [H]/N=C(\N)c1cc(Br)ccc1Oc1cnn(CC)c1.
What is the InChIKey of 5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide?
The InChIKey is XPWPNRXBIZOXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-2-17-7-9(6-16-17)18-11-4-3-8(13)5-10(11)12(14)15/h3-7H,2H2,1H3,(H3,14,15).
What are the key properties of 5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide?
5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide has a molecular weight of 309.17 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide is sourced from PubChem (CID 114893388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).