[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine

C15H19BrN4 — CID 105224704

IUPAC[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine
SMILESCc1nn(C)c(CC(NN)C2Cc3ccccc32)c1Br
InChIInChI=1S/C15H19BrN4/c1-9-15(16)14(20(2)19-9)8-13(18-17)12-7-10-5-3-4-6-11(10)12/h3-6,12-13,18H,7-8,17H2,1-2H3
InChIKeyZAUPJPWMFDEMGM-UHFFFAOYSA-N
MW335.25 g/mol
LogP2.21
Rot. Bonds4

About [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine (PubChem CID 105224704) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine
PubChem CID105224704
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine
SMILESCc1nn(C)c(CC(NN)C2Cc3ccccc32)c1Br
InChIInChI=1S/C15H19BrN4/c1-9-15(16)14(20(2)19-9)8-13(18-17)12-7-10-5-3-4-6-11(10)12/h3-6,12-13,18H,7-8,17H2,1-2H3
InChIKeyZAUPJPWMFDEMGM-UHFFFAOYSA-N
XLogP2.21
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105224803
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105224789
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105224757
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105224737
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine
CID 105224772
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine
CID 105224823
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 105160973
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine
CID 105317823
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105224760
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105224818
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethyl]hydrazine
CID 107986094
1,2-bis(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylhydrazine
CID 105224824

Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine?
The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine (CID 105224704) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine is Cc1nn(C)c(CC(NN)C2Cc3ccccc32)c1Br.
What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine?
The InChIKey is ZAUPJPWMFDEMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-9-15(16)14(20(2)19-9)8-13(18-17)12-7-10-5-3-4-6-11(10)12/h3-6,12-13,18H,7-8,17H2,1-2H3.
What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine?
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine has a molecular weight of 335.25 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105224704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).