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

C12H19BrN6 — CID 105228761

IUPAC[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)c2ccn(C)n2)c1Br
InChIInChI=1S/C12H19BrN6/c1-4-8-12(13)11(19(3)17-8)7-10(15-14)9-5-6-18(2)16-9/h5-6,10,15H,4,7,14H2,1-3H3
InChIKeyWLIARRPUUJKLFO-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.23
Rot. Bonds5

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

[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 105228761) has the molecular formula C12H19BrN6 and a molecular weight of 327.23 g/mol. Its IUPAC name is [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
PubChem CID105228761
Molecular FormulaC12H19BrN6
Molecular Weight327.23 g/mol
Exact Mass326.09
IUPAC Name[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)c2ccn(C)n2)c1Br
InChIInChI=1S/C12H19BrN6/c1-4-8-12(13)11(19(3)17-8)7-10(15-14)9-5-6-18(2)16-9/h5-6,10,15H,4,7,14H2,1-3H3
InChIKeyWLIARRPUUJKLFO-UHFFFAOYSA-N
XLogP1.23
TPSA73.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[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-(3,5-dibromophenyl)ethyl]hydrazine
CID 107979192
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105314872
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylimidazol-4-yl)ethyl]hydrazine
CID 105264709
[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-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 105314861
[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-yl]hydrazine
CID 105199615
1-(4-aminophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 106695456
[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-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228625
1-(1-methylpyrazol-3-yl)pentylhydrazine
CID 105228546

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine (CID 105228761) is [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine is CCc1nn(C)c(CC(NN)c2ccn(C)n2)c1Br.
What is the InChIKey of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is WLIARRPUUJKLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN6/c1-4-8-12(13)11(19(3)17-8)7-10(15-14)9-5-6-18(2)16-9/h5-6,10,15H,4,7,14H2,1-3H3.
What are the key properties of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine?
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 327.23 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105228761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).