[(4-bromo-3-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine

C12H14BrClN4 — CID 105289852

IUPAC[(4-bromo-3-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
SMILESCCn1cc(C(NN)c2ccc(Br)c(Cl)c2)cn1
InChIInChI=1S/C12H14BrClN4/c1-2-18-7-9(6-16-18)12(17-15)8-3-4-10(13)11(14)5-8/h3-7,12,17H,2,15H2,1H3
InChIKeyCMJYGMNJLDACCQ-UHFFFAOYSA-N
MW329.63 g/mol
LogP2.87
Rot. Bonds4

About [(4-bromo-3-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine

[(4-bromo-3-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine (PubChem CID 105289852) has the molecular formula C12H14BrClN4 and a molecular weight of 329.63 g/mol. Its IUPAC name is [(4-bromo-3-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-3-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
PubChem CID105289852
Molecular FormulaC12H14BrClN4
Molecular Weight329.63 g/mol
Exact Mass328.01
IUPAC Name[(4-bromo-3-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
SMILESCCn1cc(C(NN)c2ccc(Br)c(Cl)c2)cn1
InChIInChI=1S/C12H14BrClN4/c1-2-18-7-9(6-16-18)12(17-15)8-3-4-10(13)11(14)5-8/h3-7,12,17H,2,15H2,1H3
InChIKeyCMJYGMNJLDACCQ-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
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-ethylpyrazol-4-yl)-(4-methylphenyl)methyl]hydrazine
CID 105194304
[(3-bromophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105197955
[(3,4-dimethylphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289747
[(3,5-dichlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289840
1-(3,4-dichlorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 81492094
[(2-bromo-5-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289879
1-(3-chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 55181977
[(1-ethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105191655
N-[1-(4-bromo-3-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115822956
[(4-bromothiophen-2-yl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105222445
N-[(4-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816140
[1-(4-bromo-3-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105291168

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-3-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-3-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine (CID 105289852) is [(4-bromo-3-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-3-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-3-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine is CCn1cc(C(NN)c2ccc(Br)c(Cl)c2)cn1.
What is the InChIKey of [(4-bromo-3-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is CMJYGMNJLDACCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN4/c1-2-18-7-9(6-16-18)12(17-15)8-3-4-10(13)11(14)5-8/h3-7,12,17H,2,15H2,1H3.
What are the key properties of [(4-bromo-3-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine?
[(4-bromo-3-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 329.63 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-3-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105289852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).