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

C13H18BrClN4S — CID 105318272

IUPAC[1-(5-bromothiophen-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine
SMILESCCc1nn(CC)c(CC(NN)c2csc(Br)c2)c1Cl
InChIInChI=1S/C13H18BrClN4S/c1-3-9-13(15)11(19(4-2)18-9)6-10(17-16)8-5-12(14)20-7-8/h5,7,10,17H,3-4,6,16H2,1-2H3
InChIKeyOGFSXZHHQWTPSU-UHFFFAOYSA-N
MW377.74 g/mol
LogP3.69
Rot. Bonds6

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

[1-(5-bromothiophen-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine (PubChem CID 105318272) has the molecular formula C13H18BrClN4S and a molecular weight of 377.74 g/mol. Its IUPAC name is [1-(5-bromothiophen-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromothiophen-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine
PubChem CID105318272
Molecular FormulaC13H18BrClN4S
Molecular Weight377.74 g/mol
Exact Mass376.01
IUPAC Name[1-(5-bromothiophen-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine
SMILESCCc1nn(CC)c(CC(NN)c2csc(Br)c2)c1Cl
InChIInChI=1S/C13H18BrClN4S/c1-3-9-13(15)11(19(4-2)18-9)6-10(17-16)8-5-12(14)20-7-8/h5,7,10,17H,3-4,6,16H2,1-2H3
InChIKeyOGFSXZHHQWTPSU-UHFFFAOYSA-N
XLogP3.69
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.74
LogP ≤ 53.69
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-chloro-1,3-diethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]hydrazine
CID 105318253
N-[1-(5-bromothiophen-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 105159905
[1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine
CID 106860035
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222593
[2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-pyrimidin-4-ylethyl]hydrazine
CID 105221159
[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105214340
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethyl]hydrazine
CID 105318849
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine
CID 105001430
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105200822
[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105318284
2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 102923580
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 115815329

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromothiophen-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine?
The IUPAC name of [1-(5-bromothiophen-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine (CID 105318272) is [1-(5-bromothiophen-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(5-bromothiophen-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [1-(5-bromothiophen-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine is CCc1nn(CC)c(CC(NN)c2csc(Br)c2)c1Cl.
What is the InChIKey of [1-(5-bromothiophen-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine?
The InChIKey is OGFSXZHHQWTPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN4S/c1-3-9-13(15)11(19(4-2)18-9)6-10(17-16)8-5-12(14)20-7-8/h5,7,10,17H,3-4,6,16H2,1-2H3.
What are the key properties of [1-(5-bromothiophen-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine?
[1-(5-bromothiophen-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine has a molecular weight of 377.74 g/mol, XLogP of 3.69, 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-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105318272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).