[1-(4-bromo-3-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine

C12H14BrClN4 — CID 105291168

IUPAC[1-(4-bromo-3-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
SMILESCn1cc(CC(NN)c2ccc(Br)c(Cl)c2)cn1
InChIInChI=1S/C12H14BrClN4/c1-18-7-8(6-16-18)4-12(17-15)9-2-3-10(13)11(14)5-9/h2-3,5-7,12,17H,4,15H2,1H3
InChIKeyDVNDJNAYONIVQD-UHFFFAOYSA-N
MW329.63 g/mol
LogP2.58
Rot. Bonds4

About [1-(4-bromo-3-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine

[1-(4-bromo-3-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine (PubChem CID 105291168) has the molecular formula C12H14BrClN4 and a molecular weight of 329.63 g/mol. Its IUPAC name is [1-(4-bromo-3-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-3-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
PubChem CID105291168
Molecular FormulaC12H14BrClN4
Molecular Weight329.63 g/mol
Exact Mass328.01
IUPAC Name[1-(4-bromo-3-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
SMILESCn1cc(CC(NN)c2ccc(Br)c(Cl)c2)cn1
InChIInChI=1S/C12H14BrClN4/c1-18-7-8(6-16-18)4-12(17-15)9-2-3-10(13)11(14)5-9/h2-3,5-7,12,17H,4,15H2,1H3
InChIKeyDVNDJNAYONIVQD-UHFFFAOYSA-N
XLogP2.58
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 52.58
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-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105291154
[1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105253076
1,2-bis(1-methylpyrazol-4-yl)ethylhydrazine
CID 105228414
[1-(4-bromo-3-chlorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105317536
[1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105238664
[1-(4-bromo-3-chlorophenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333727
N-[1-(4-bromo-3-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115822956
[1-(3-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105191715
[1-(4-bromo-3-chlorophenyl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105413118
[1-(2,5-dibromothiophen-3-yl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 107970127
[1-(4-bromo-3-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 105334045
[1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105291170

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(4-bromo-3-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine (CID 105291168) is [1-(4-bromo-3-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-3-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-3-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine is Cn1cc(CC(NN)c2ccc(Br)c(Cl)c2)cn1.
What is the InChIKey of [1-(4-bromo-3-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The InChIKey is DVNDJNAYONIVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN4/c1-18-7-8(6-16-18)4-12(17-15)9-2-3-10(13)11(14)5-9/h2-3,5-7,12,17H,4,15H2,1H3.
What are the key properties of [1-(4-bromo-3-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine?
[1-(4-bromo-3-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine has a molecular weight of 329.63 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105291168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).