[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine

C13H18Br2N4S — CID 105222593

IUPAC[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
SMILESCCc1nn(CC)c(CC(NN)c2cc(Br)cs2)c1Br
InChIInChI=1S/C13H18Br2N4S/c1-3-9-13(15)11(19(4-2)18-9)6-10(17-16)12-5-8(14)7-20-12/h5,7,10,17H,3-4,6,16H2,1-2H3
InChIKeyOIWOBWUYRJCCEH-UHFFFAOYSA-N
MW422.19 g/mol
LogP3.80
Rot. Bonds6

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

[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine (PubChem CID 105222593) has the molecular formula C13H18Br2N4S and a molecular weight of 422.19 g/mol. Its IUPAC name is [2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
PubChem CID105222593
Molecular FormulaC13H18Br2N4S
Molecular Weight422.19 g/mol
Exact Mass419.96
IUPAC Name[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
SMILESCCc1nn(CC)c(CC(NN)c2cc(Br)cs2)c1Br
InChIInChI=1S/C13H18Br2N4S/c1-3-9-13(15)11(19(4-2)18-9)6-10(17-16)12-5-8(14)7-20-12/h5,7,10,17H,3-4,6,16H2,1-2H3
InChIKeyOIWOBWUYRJCCEH-UHFFFAOYSA-N
XLogP3.80
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.19
LogP ≤ 53.80
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

[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-bromofuran-2-yl)ethyl]hydrazine
CID 105318898
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105200822
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine
CID 106756613
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethyl]hydrazine
CID 105318849
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222450
[1-(5-bromothiophen-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine
CID 105318272
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-pyridinyl)ethyl]hydrazine
CID 105258683
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253505
[1-(4-bromothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105222666
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylethanamine
CID 103406533
[3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 105246129
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 105002408

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine (CID 105222593) is [2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine is CCc1nn(CC)c(CC(NN)c2cc(Br)cs2)c1Br.
What is the InChIKey of [2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine?
The InChIKey is OIWOBWUYRJCCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N4S/c1-3-9-13(15)11(19(4-2)18-9)6-10(17-16)12-5-8(14)7-20-12/h5,7,10,17H,3-4,6,16H2,1-2H3.
What are the key properties of [2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine?
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine has a molecular weight of 422.19 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105222593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).