[1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine

C13H15BrCl2N4 — CID 107948485

IUPAC[1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
SMILESCc1nn(C)c(Cl)c1CC(NN)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H15BrCl2N4/c1-7-11(13(16)20(2)19-7)6-12(18-17)8-3-9(14)5-10(15)4-8/h3-5,12,18H,6,17H2,1-2H3
InChIKeyYLCLKABPJBFXDP-UHFFFAOYSA-N
MW378.10 g/mol
LogP3.54
Rot. Bonds4

About [1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine

[1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine (PubChem CID 107948485) has the molecular formula C13H15BrCl2N4 and a molecular weight of 378.10 g/mol. Its IUPAC name is [1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
PubChem CID107948485
Molecular FormulaC13H15BrCl2N4
Molecular Weight378.10 g/mol
Exact Mass375.99
IUPAC Name[1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
SMILESCc1nn(C)c(Cl)c1CC(NN)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H15BrCl2N4/c1-7-11(13(16)20(2)19-7)6-12(18-17)8-3-9(14)5-10(15)4-8/h3-5,12,18H,6,17H2,1-2H3
InChIKeyYLCLKABPJBFXDP-UHFFFAOYSA-N
XLogP3.54
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.10
LogP ≤ 53.54
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-(4-bromo-3-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 105334045
[1-(3-bromo-5-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 107948316
[1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 107948303
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine
CID 105333997
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]hydrazine
CID 105334091
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
CID 107970575
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228861
1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 113470316
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105258240
[1-(3-bromo-5-chlorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 107948336
1-(4-bromo-2-fluorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylethanamine
CID 114906337
[1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine
CID 107947997

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine (CID 107948485) is [1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine is Cc1nn(C)c(Cl)c1CC(NN)c1cc(Cl)cc(Br)c1.
What is the InChIKey of [1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine?
The InChIKey is YLCLKABPJBFXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrCl2N4/c1-7-11(13(16)20(2)19-7)6-12(18-17)8-3-9(14)5-10(15)4-8/h3-5,12,18H,6,17H2,1-2H3.
What are the key properties of [1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine?
[1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine has a molecular weight of 378.10 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 107948485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).