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

C13H18BrClN4O — CID 106860035

IUPAC[1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine
SMILESCCc1nn(CC)c(CC(NN)c2ccoc2Br)c1Cl
InChIInChI=1S/C13H18BrClN4O/c1-3-9-12(15)11(19(4-2)18-9)7-10(17-16)8-5-6-20-13(8)14/h5-6,10,17H,3-4,7,16H2,1-2H3
InChIKeyCMLCIOJFCCHOAW-UHFFFAOYSA-N
MW361.67 g/mol
LogP3.22
Rot. Bonds6

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

[1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine (PubChem CID 106860035) has the molecular formula C13H18BrClN4O and a molecular weight of 361.67 g/mol. Its IUPAC name is [1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine
PubChem CID106860035
Molecular FormulaC13H18BrClN4O
Molecular Weight361.67 g/mol
Exact Mass360.04
IUPAC Name[1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine
SMILESCCc1nn(CC)c(CC(NN)c2ccoc2Br)c1Cl
InChIInChI=1S/C13H18BrClN4O/c1-3-9-12(15)11(19(4-2)18-9)7-10(17-16)8-5-6-20-13(8)14/h5-6,10,17H,3-4,7,16H2,1-2H3
InChIKeyCMLCIOJFCCHOAW-UHFFFAOYSA-N
XLogP3.22
TPSA69.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.67
LogP ≤ 53.22
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-(2-bromofuran-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 106857947
[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-(2-chlorofuran-3-yl)-N-methylethanamine
CID 106692448
[2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-pyrimidin-4-ylethyl]hydrazine
CID 105221159
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol
CID 106693847
[1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)ethyl]hydrazine
CID 106859708
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-iodophenyl)-N-methylethanamine
CID 105001342
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-bromofuran-2-yl)ethyl]hydrazine
CID 105318898
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine
CID 105316977
[1-(3-bromo-2-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine
CID 105317005
[1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine
CID 105317018

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine?
The IUPAC name of [1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine (CID 106860035) is [1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine is CCc1nn(CC)c(CC(NN)c2ccoc2Br)c1Cl.
What is the InChIKey of [1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine?
The InChIKey is CMLCIOJFCCHOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN4O/c1-3-9-12(15)11(19(4-2)18-9)7-10(17-16)8-5-6-20-13(8)14/h5-6,10,17H,3-4,7,16H2,1-2H3.
What are the key properties of [1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine?
[1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine has a molecular weight of 361.67 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 106860035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).