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

C12H19BrN6 — CID 105228327

IUPAC[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
SMILESCCn1nc(C)c(Br)c1CC(NN)c1cnn(C)c1
InChIInChI=1S/C12H19BrN6/c1-4-19-11(12(13)8(2)17-19)5-10(16-14)9-6-15-18(3)7-9/h6-7,10,16H,4-5,14H2,1-3H3
InChIKeyLJIQBYVGVAVELZ-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.45
Rot. Bonds5

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

[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine (PubChem CID 105228327) has the molecular formula C12H19BrN6 and a molecular weight of 327.23 g/mol. Its IUPAC name is [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
PubChem CID105228327
Molecular FormulaC12H19BrN6
Molecular Weight327.23 g/mol
Exact Mass326.09
IUPAC Name[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
SMILESCCn1nc(C)c(Br)c1CC(NN)c1cnn(C)c1
InChIInChI=1S/C12H19BrN6/c1-4-19-11(12(13)8(2)17-19)5-10(16-14)9-6-15-18(3)7-9/h6-7,10,16H,4-5,14H2,1-3H3
InChIKeyLJIQBYVGVAVELZ-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
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-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
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[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethyl]hydrazine
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[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine
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2-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-hydrazinylethyl]aniline
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1,2-bis(1-methylpyrazol-4-yl)ethylhydrazine
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[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
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[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-6-fluorophenyl)ethyl]hydrazine
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[1-(1-methylpyrazol-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
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[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethyl]hydrazine
CID 105318849
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-pyrimidin-5-ylethanol
CID 102924052
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine
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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine (CID 105228327) is [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine is CCn1nc(C)c(Br)c1CC(NN)c1cnn(C)c1.
What is the InChIKey of [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The InChIKey is LJIQBYVGVAVELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN6/c1-4-19-11(12(13)8(2)17-19)5-10(16-14)9-6-15-18(3)7-9/h6-7,10,16H,4-5,14H2,1-3H3.
What are the key properties of [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine?
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine has a molecular weight of 327.23 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105228327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).