[1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine

C15H20BrClN4 — CID 105312538

IUPAC[1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
SMILESCCC(C)n1ccc(CC(NN)c2cc(Br)ccc2Cl)n1
InChIInChI=1S/C15H20BrClN4/c1-3-10(2)21-7-6-12(20-21)9-15(19-18)13-8-11(16)4-5-14(13)17/h4-8,10,15,19H,3,9,18H2,1-2H3
InChIKeyZYJYZQJFXBWXBV-UHFFFAOYSA-N
MW371.71 g/mol
LogP4.02
Rot. Bonds6

About [1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine

[1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 105312538) has the molecular formula C15H20BrClN4 and a molecular weight of 371.71 g/mol. Its IUPAC name is [1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
PubChem CID105312538
Molecular FormulaC15H20BrClN4
Molecular Weight371.71 g/mol
Exact Mass370.06
IUPAC Name[1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
SMILESCCC(C)n1ccc(CC(NN)c2cc(Br)ccc2Cl)n1
InChIInChI=1S/C15H20BrClN4/c1-3-10(2)21-7-6-12(20-21)9-15(19-18)13-8-11(16)4-5-14(13)17/h4-8,10,15,19H,3,9,18H2,1-2H3
InChIKeyZYJYZQJFXBWXBV-UHFFFAOYSA-N
XLogP4.02
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 54.02
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-(5-bromo-2-methylphenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312551
[1-(2-bromo-4-fluorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312566
[1-(2,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312747
[2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine
CID 105312611
[1-(5-bromo-2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 114033181
[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine
CID 105312536
[1-(5-bromothiophen-3-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312620
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025628
[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]hydrazine
CID 102813123
4-bromo-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-chloroaniline
CID 64799684
[2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105204127
1-(2-bromo-4-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)-N-methylethanamine
CID 107993553

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine (CID 105312538) is [1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine is CCC(C)n1ccc(CC(NN)c2cc(Br)ccc2Cl)n1.
What is the InChIKey of [1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is ZYJYZQJFXBWXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN4/c1-3-10(2)21-7-6-12(20-21)9-15(19-18)13-8-11(16)4-5-14(13)17/h4-8,10,15,19H,3,9,18H2,1-2H3.
What are the key properties of [1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine?
[1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 371.71 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105312538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).