[(4-bromothiophen-3-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine

C12H17BrN4S — CID 105322625

IUPAC[(4-bromothiophen-3-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
SMILESCCc1cc(C(NN)c2cscc2Br)n(CC)n1
InChIInChI=1S/C12H17BrN4S/c1-3-8-5-11(17(4-2)16-8)12(15-14)9-6-18-7-10(9)13/h5-7,12,15H,3-4,14H2,1-2H3
InChIKeyZIIQULLUECWGHP-UHFFFAOYSA-N
MW329.27 g/mol
LogP2.84
Rot. Bonds5

About [(4-bromothiophen-3-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine

[(4-bromothiophen-3-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105322625) has the molecular formula C12H17BrN4S and a molecular weight of 329.27 g/mol. Its IUPAC name is [(4-bromothiophen-3-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromothiophen-3-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
PubChem CID105322625
Molecular FormulaC12H17BrN4S
Molecular Weight329.27 g/mol
Exact Mass328.04
IUPAC Name[(4-bromothiophen-3-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
SMILESCCc1cc(C(NN)c2cscc2Br)n(CC)n1
InChIInChI=1S/C12H17BrN4S/c1-3-8-5-11(17(4-2)16-8)12(15-14)9-6-18-7-10(9)13/h5-7,12,15H,3-4,14H2,1-2H3
InChIKeyZIIQULLUECWGHP-UHFFFAOYSA-N
XLogP2.84
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-diethylpyrazol-5-yl)-(3-ethyltriazol-4-yl)methyl]hydrazine
CID 114213661
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
CID 105336990
[(1,3-diethylpyrazol-5-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337585
[(1,3-diethylpyrazol-5-yl)-(2-ethoxyphenyl)methyl]hydrazine
CID 105304394
[(1,3-diethylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105302786
[(1,3-diethylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302457
[(4-bromothiophen-3-yl)-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264557
[(1,3-diethylpyrazol-5-yl)-(4-fluorophenyl)methyl]hydrazine
CID 105284076
[(1,3-diethylpyrazol-5-yl)-(2,6-difluorophenyl)methyl]hydrazine
CID 105308082
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
CID 105182837
[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105307646
1-(1,3-diethylpyrazol-5-yl)prop-2-enylhydrazine
CID 105318016

Frequently Asked Questions

What is the IUPAC name of [(4-bromothiophen-3-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(4-bromothiophen-3-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine (CID 105322625) is [(4-bromothiophen-3-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromothiophen-3-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromothiophen-3-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine is CCc1cc(C(NN)c2cscc2Br)n(CC)n1.
What is the InChIKey of [(4-bromothiophen-3-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is ZIIQULLUECWGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4S/c1-3-8-5-11(17(4-2)16-8)12(15-14)9-6-18-7-10(9)13/h5-7,12,15H,3-4,14H2,1-2H3.
What are the key properties of [(4-bromothiophen-3-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine?
[(4-bromothiophen-3-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 329.27 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromothiophen-3-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105322625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).