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

C13H19BrN4S — CID 105312620

IUPAC[1-(5-bromothiophen-3-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
SMILESCCC(C)n1ccc(CC(NN)c2csc(Br)c2)n1
InChIInChI=1S/C13H19BrN4S/c1-3-9(2)18-5-4-11(17-18)7-12(16-15)10-6-13(14)19-8-10/h4-6,8-9,12,16H,3,7,15H2,1-2H3
InChIKeyIXXRVZMPYSERTD-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.43
Rot. Bonds6

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

[1-(5-bromothiophen-3-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 105312620) has the molecular formula C13H19BrN4S and a molecular weight of 343.29 g/mol. Its IUPAC name is [1-(5-bromothiophen-3-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromothiophen-3-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
PubChem CID105312620
Molecular FormulaC13H19BrN4S
Molecular Weight343.29 g/mol
Exact Mass342.05
IUPAC Name[1-(5-bromothiophen-3-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
SMILESCCC(C)n1ccc(CC(NN)c2csc(Br)c2)n1
InChIInChI=1S/C13H19BrN4S/c1-3-9(2)18-5-4-11(17-18)7-12(16-15)10-6-13(14)19-8-10/h4-6,8-9,12,16H,3,7,15H2,1-2H3
InChIKeyIXXRVZMPYSERTD-UHFFFAOYSA-N
XLogP3.43
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.43
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-(5-bromothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
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[1-(5-bromo-2-methylphenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
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[2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
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[1-(2-bromo-4-fluorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312566
[1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
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[1-(5-bromothiophen-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethyl]hydrazine
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1-(5-bromothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
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[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105312638
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
CID 107968388
[1-(4-bromo-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312758
[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]hydrazine
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Frequently Asked Questions

What is the IUPAC name of [1-(5-bromothiophen-3-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(5-bromothiophen-3-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine (CID 105312620) is [1-(5-bromothiophen-3-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(5-bromothiophen-3-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(5-bromothiophen-3-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine is CCC(C)n1ccc(CC(NN)c2csc(Br)c2)n1.
What is the InChIKey of [1-(5-bromothiophen-3-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is IXXRVZMPYSERTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4S/c1-3-9(2)18-5-4-11(17-18)7-12(16-15)10-6-13(14)19-8-10/h4-6,8-9,12,16H,3,7,15H2,1-2H3.
What are the key properties of [1-(5-bromothiophen-3-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine?
[1-(5-bromothiophen-3-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 343.29 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromothiophen-3-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105312620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).