[1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine

C14H18BrFN4 — CID 105312714

IUPAC[1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
SMILESCC(C)n1ccc(CC(NN)c2ccc(F)cc2Br)n1
InChIInChI=1S/C14H18BrFN4/c1-9(2)20-6-5-11(19-20)8-14(18-17)12-4-3-10(16)7-13(12)15/h3-7,9,14,18H,8,17H2,1-2H3
InChIKeyFSDVCURXPOWRBE-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.11
Rot. Bonds5

About [1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine

[1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 105312714) has the molecular formula C14H18BrFN4 and a molecular weight of 341.23 g/mol. Its IUPAC name is [1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
PubChem CID105312714
Molecular FormulaC14H18BrFN4
Molecular Weight341.23 g/mol
Exact Mass340.07
IUPAC Name[1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
SMILESCC(C)n1ccc(CC(NN)c2ccc(F)cc2Br)n1
InChIInChI=1S/C14H18BrFN4/c1-9(2)20-6-5-11(19-20)8-14(18-17)12-4-3-10(16)7-13(12)15/h3-7,9,14,18H,8,17H2,1-2H3
InChIKeyFSDVCURXPOWRBE-UHFFFAOYSA-N
XLogP3.11
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-bromo-4-fluorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
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[1-(2,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
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[1-(4-bromo-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
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[1-(5-bromo-2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 114033181
[1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
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[1-(2-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
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1-(2-bromo-4-methylphenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
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[1-(3-fluoro-4-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
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[1-(2-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329498
1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771568
[1-(2-chloro-4-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
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Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine (CID 105312714) is [1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine is CC(C)n1ccc(CC(NN)c2ccc(F)cc2Br)n1.
What is the InChIKey of [1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is FSDVCURXPOWRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN4/c1-9(2)20-6-5-11(19-20)8-14(18-17)12-4-3-10(16)7-13(12)15/h3-7,9,14,18H,8,17H2,1-2H3.
What are the key properties of [1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine?
[1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 341.23 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105312714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).