[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine

C14H17Br3N4 — CID 107979192

IUPAC[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)c2cc(Br)cc(Br)c2)c1Br
InChIInChI=1S/C14H17Br3N4/c1-3-11-14(17)13(21(2)20-11)7-12(19-18)8-4-9(15)6-10(16)5-8/h4-6,12,19H,3,7,18H2,1-2H3
InChIKeyYOZXQBWIRFRKIL-UHFFFAOYSA-N
MW481.03 g/mol
LogP4.02
Rot. Bonds5

About [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine

[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine (PubChem CID 107979192) has the molecular formula C14H17Br3N4 and a molecular weight of 481.03 g/mol. Its IUPAC name is [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine
PubChem CID107979192
Molecular FormulaC14H17Br3N4
Molecular Weight481.03 g/mol
Exact Mass477.90
IUPAC Name[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)c2cc(Br)cc(Br)c2)c1Br
InChIInChI=1S/C14H17Br3N4/c1-3-11-14(17)13(21(2)20-11)7-12(19-18)8-4-9(15)6-10(16)5-8/h4-6,12,19H,3,7,18H2,1-2H3
InChIKeyYOZXQBWIRFRKIL-UHFFFAOYSA-N
XLogP4.02
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.03
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-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 107948303
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194397
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105314872
1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 107946095
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228761
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylimidazol-4-yl)ethyl]hydrazine
CID 105264709
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107975990
[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-yl]hydrazine
CID 105199615
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethyl]hydrazine
CID 105314896
[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpentan-2-yl]hydrazine
CID 105314862
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 105314861
1-(4-aminophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 106695456

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine (CID 107979192) is [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine is CCc1nn(C)c(CC(NN)c2cc(Br)cc(Br)c2)c1Br.
What is the InChIKey of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine?
The InChIKey is YOZXQBWIRFRKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br3N4/c1-3-11-14(17)13(21(2)20-11)7-12(19-18)8-4-9(15)6-10(16)5-8/h4-6,12,19H,3,7,18H2,1-2H3.
What are the key properties of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine?
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine has a molecular weight of 481.03 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine is sourced from PubChem (CID 107979192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).