[(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine

C12H13BrClFN4 — CID 105336356

IUPAC[(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine
SMILESCCn1ncc(Cl)c1C(NN)c1ccc(F)cc1Br
InChIInChI=1S/C12H13BrClFN4/c1-2-19-12(10(14)6-17-19)11(18-16)8-4-3-7(15)5-9(8)13/h3-6,11,18H,2,16H2,1H3
InChIKeyYAPPYDFKRFDOLW-UHFFFAOYSA-N
MW347.62 g/mol
LogP3.01
Rot. Bonds4

About [(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine

[(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105336356) has the molecular formula C12H13BrClFN4 and a molecular weight of 347.62 g/mol. Its IUPAC name is [(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine
PubChem CID105336356
Molecular FormulaC12H13BrClFN4
Molecular Weight347.62 g/mol
Exact Mass346.00
IUPAC Name[(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine
SMILESCCn1ncc(Cl)c1C(NN)c1ccc(F)cc1Br
InChIInChI=1S/C12H13BrClFN4/c1-2-19-12(10(14)6-17-19)11(18-16)8-4-3-7(15)5-9(8)13/h3-6,11,18H,2,16H2,1H3
InChIKeyYAPPYDFKRFDOLW-UHFFFAOYSA-N
XLogP3.01
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.62
LogP ≤ 53.01
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

[(2-bromo-4-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105342355
N-[(2-bromo-4-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042540
[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105219437
[(4-chloro-1-ethylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]hydrazine
CID 105336403
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]ethanamine
CID 114650579
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114659063
[(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105197082
[(4-chloro-1-ethylpyrazol-5-yl)-(3-chloro-4-fluorophenyl)methyl]hydrazine
CID 105218119
[(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105336447
[(4-chloro-1-ethylpyrazol-5-yl)-phenylmethyl]hydrazine
CID 105199252
[(4-chloro-1-ethylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine
CID 105336455
N-[(4-bromo-2-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]ethanamine
CID 114906523

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine (CID 105336356) is [(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine is CCn1ncc(Cl)c1C(NN)c1ccc(F)cc1Br.
What is the InChIKey of [(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is YAPPYDFKRFDOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClFN4/c1-2-19-12(10(14)6-17-19)11(18-16)8-4-3-7(15)5-9(8)13/h3-6,11,18H,2,16H2,1H3.
What are the key properties of [(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine?
[(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 347.62 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105336356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).