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

C11H12BrFN4 — CID 105288776

IUPAC[(2-bromo-5-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
SMILESCn1cc(C(NN)c2cc(F)ccc2Br)cn1
InChIInChI=1S/C11H12BrFN4/c1-17-6-7(5-15-17)11(16-14)9-4-8(13)2-3-10(9)12/h2-6,11,16H,14H2,1H3
InChIKeyYJIICTJRGNMGDD-UHFFFAOYSA-N
MW299.15 g/mol
LogP1.87
Rot. Bonds3

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

[(2-bromo-5-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine (PubChem CID 105288776) has the molecular formula C11H12BrFN4 and a molecular weight of 299.15 g/mol. Its IUPAC name is [(2-bromo-5-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-5-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
PubChem CID105288776
Molecular FormulaC11H12BrFN4
Molecular Weight299.15 g/mol
Exact Mass298.02
IUPAC Name[(2-bromo-5-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
SMILESCn1cc(C(NN)c2cc(F)ccc2Br)cn1
InChIInChI=1S/C11H12BrFN4/c1-17-6-7(5-15-17)11(16-14)9-4-8(13)2-3-10(9)12/h2-6,11,16H,14H2,1H3
InChIKeyYJIICTJRGNMGDD-UHFFFAOYSA-N
XLogP1.87
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 51.87
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

[(4-fluoro-2-methylphenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105228355
[(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337670
[(2-bromo-5-fluorophenyl)-(3,4-dimethylphenyl)methyl]hydrazine
CID 105300293
N-[(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815982
N-[(2-bromo-5-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115808137
[(2-bromo-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107131075
[(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105219438
(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816294
[(2-chlorofuran-3-yl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 106694209
[(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283657
[(2-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methyl]hydrazine
CID 105342038
[(3,5-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105228493

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-5-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-5-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine (CID 105288776) is [(2-bromo-5-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-5-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-5-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine is Cn1cc(C(NN)c2cc(F)ccc2Br)cn1.
What is the InChIKey of [(2-bromo-5-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is YJIICTJRGNMGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN4/c1-17-6-7(5-15-17)11(16-14)9-4-8(13)2-3-10(9)12/h2-6,11,16H,14H2,1H3.
What are the key properties of [(2-bromo-5-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine?
[(2-bromo-5-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 299.15 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-5-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105288776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).