[1-(5-bromo-2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine

C14H18BrIN4 — CID 114033181

IUPAC[1-(5-bromo-2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
SMILESCC(C)n1ccc(CC(NN)c2cc(Br)ccc2I)n1
InChIInChI=1S/C14H18BrIN4/c1-9(2)20-6-5-11(19-20)8-14(18-17)12-7-10(15)3-4-13(12)16/h3-7,9,14,18H,8,17H2,1-2H3
InChIKeyAAGGERHYKOMVEN-UHFFFAOYSA-N
MW449.13 g/mol
LogP3.58
Rot. Bonds5

About [1-(5-bromo-2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine

[1-(5-bromo-2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 114033181) has the molecular formula C14H18BrIN4 and a molecular weight of 449.13 g/mol. Its IUPAC name is [1-(5-bromo-2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
PubChem CID114033181
Molecular FormulaC14H18BrIN4
Molecular Weight449.13 g/mol
Exact Mass447.98
IUPAC Name[1-(5-bromo-2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
SMILESCC(C)n1ccc(CC(NN)c2cc(Br)ccc2I)n1
InChIInChI=1S/C14H18BrIN4/c1-9(2)20-6-5-11(19-20)8-14(18-17)12-7-10(15)3-4-13(12)16/h3-7,9,14,18H,8,17H2,1-2H3
InChIKeyAAGGERHYKOMVEN-UHFFFAOYSA-N
XLogP3.58
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.13
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(2,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312747
[1-(5-bromo-2-methylphenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312551
[1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312714
[1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312538
1-(5-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64771163
[1-(4-bromo-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312758
1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990055
[1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312731
[1-(2-chloro-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105215278
[1-(2-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312794
[1-(1,5-dimethylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312735
1-(4-bromophenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771366

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(5-bromo-2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine (CID 114033181) is [1-(5-bromo-2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(5-bromo-2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine is CC(C)n1ccc(CC(NN)c2cc(Br)ccc2I)n1.
What is the InChIKey of [1-(5-bromo-2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is AAGGERHYKOMVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrIN4/c1-9(2)20-6-5-11(19-20)8-14(18-17)12-7-10(15)3-4-13(12)16/h3-7,9,14,18H,8,17H2,1-2H3.
What are the key properties of [1-(5-bromo-2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine?
[1-(5-bromo-2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 449.13 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 114033181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).