[1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine

C12H15BrN4 — CID 105208608

IUPAC[1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCn1ccc(CC(NN)c2ccccc2Br)n1
InChIInChI=1S/C12H15BrN4/c1-17-7-6-9(16-17)8-12(15-14)10-4-2-3-5-11(10)13/h2-7,12,15H,8,14H2,1H3
InChIKeyLBKXLBMUWGGGIJ-UHFFFAOYSA-N
MW295.18 g/mol
LogP1.93
Rot. Bonds4

About [1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine

[1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 105208608) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is [1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
PubChem CID105208608
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name[1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCn1ccc(CC(NN)c2ccccc2Br)n1
InChIInChI=1S/C12H15BrN4/c1-17-7-6-9(16-17)8-12(15-14)10-4-2-3-5-11(10)13/h2-7,12,15H,8,14H2,1H3
InChIKeyLBKXLBMUWGGGIJ-UHFFFAOYSA-N
XLogP1.93
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 51.93
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-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876321
[1-(2-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329498
[2-(1-methylpyrazol-3-yl)-1-phenylethyl]hydrazine
CID 105199243
4-[1-hydrazinyl-2-(1-methylpyrazol-3-yl)ethyl]-1-methylpyrazol-5-amine
CID 105230787
[1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 102805146
[2-(1-methylpyrazol-3-yl)-1-quinolin-8-ylethyl]hydrazine
CID 105329538
[1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329446
[2-(1-methylpyrazol-3-yl)-1-(4-methylthiophen-3-yl)ethyl]hydrazine
CID 105251767
[1-(5-bromothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105222106
[2-(1-methylpyrazol-3-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 105279805
[1-(2,4-dichlorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329457
[1-(5-bromo-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105267716

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine (CID 105208608) is [1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine is Cn1ccc(CC(NN)c2ccccc2Br)n1.
What is the InChIKey of [1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is LBKXLBMUWGGGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-17-7-6-9(16-17)8-12(15-14)10-4-2-3-5-11(10)13/h2-7,12,15H,8,14H2,1H3.
What are the key properties of [1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine?
[1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 295.18 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105208608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).