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

C16H23BrN4 — CID 105312551

IUPAC[1-(5-bromo-2-methylphenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
SMILESCCC(C)n1ccc(CC(NN)c2cc(Br)ccc2C)n1
InChIInChI=1S/C16H23BrN4/c1-4-12(3)21-8-7-14(20-21)10-16(19-18)15-9-13(17)6-5-11(15)2/h5-9,12,16,19H,4,10,18H2,1-3H3
InChIKeyXWCZCRSNNVYXDM-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.67
Rot. Bonds6

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

[1-(5-bromo-2-methylphenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 105312551) has the molecular formula C16H23BrN4 and a molecular weight of 351.29 g/mol. Its IUPAC name is [1-(5-bromo-2-methylphenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2-methylphenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
PubChem CID105312551
Molecular FormulaC16H23BrN4
Molecular Weight351.29 g/mol
Exact Mass350.11
IUPAC Name[1-(5-bromo-2-methylphenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
SMILESCCC(C)n1ccc(CC(NN)c2cc(Br)ccc2C)n1
InChIInChI=1S/C16H23BrN4/c1-4-12(3)21-8-7-14(20-21)10-16(19-18)15-9-13(17)6-5-11(15)2/h5-9,12,16,19H,4,10,18H2,1-3H3
InChIKeyXWCZCRSNNVYXDM-UHFFFAOYSA-N
XLogP3.67
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.67
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-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312538
[1-(2,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312747
[1-(2-bromo-4-fluorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312566
[2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine
CID 105312611
[2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105204127
[1-(5-bromo-2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 114033181
[1-(5-bromothiophen-3-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312620
[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]hydrazine
CID 102813123
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-bromo-2-methylphenyl)ethyl]hydrazine
CID 105317802
1-(5-bromo-2-methylphenyl)butylhydrazine
CID 105282216
[1-(5-bromo-2-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105317484
[1-(5-chloro-2-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329657

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-methylphenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(5-bromo-2-methylphenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine (CID 105312551) is [1-(5-bromo-2-methylphenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2-methylphenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(5-bromo-2-methylphenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine is CCC(C)n1ccc(CC(NN)c2cc(Br)ccc2C)n1.
What is the InChIKey of [1-(5-bromo-2-methylphenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is XWCZCRSNNVYXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4/c1-4-12(3)21-8-7-14(20-21)10-16(19-18)15-9-13(17)6-5-11(15)2/h5-9,12,16,19H,4,10,18H2,1-3H3.
What are the key properties of [1-(5-bromo-2-methylphenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine?
[1-(5-bromo-2-methylphenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 351.29 g/mol, XLogP of 3.67, 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-methylphenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105312551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).