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

C12H15BrN4 — CID 105197955

IUPAC[(3-bromophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
SMILESCCn1cc(C(NN)c2cccc(Br)c2)cn1
InChIInChI=1S/C12H15BrN4/c1-2-17-8-10(7-15-17)12(16-14)9-4-3-5-11(13)6-9/h3-8,12,16H,2,14H2,1H3
InChIKeyITIUTIPWAZRQPB-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.22
Rot. Bonds4

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

[(3-bromophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine (PubChem CID 105197955) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is [(3-bromophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
PubChem CID105197955
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name[(3-bromophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
SMILESCCn1cc(C(NN)c2cccc(Br)c2)cn1
InChIInChI=1S/C12H15BrN4/c1-2-17-8-10(7-15-17)12(16-14)9-4-3-5-11(13)6-9/h3-8,12,16H,2,14H2,1H3
InChIKeyITIUTIPWAZRQPB-UHFFFAOYSA-N
XLogP2.22
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.22
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)-(3-methoxyphenyl)methyl]hydrazine
CID 105191655
[(3,4-dimethylphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289747
[(4-bromo-3-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289852
[(4-bromothiophen-2-yl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105222445
[(1-ethylpyrazol-4-yl)-(4-methylphenyl)methyl]hydrazine
CID 105194304
[(3,5-dichlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289840
[(2,3-dimethylphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289722
[(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288475
methyl 2-(3-bromophenyl)-2-[(1-ethylpyrazol-4-yl)amino]acetate
CID 86791823
[(2-bromo-5-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289879
[(3-bromophenyl)-(4-propylphenyl)methyl]hydrazine
CID 105197895
[(3-methylsulfonylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288442

Frequently Asked Questions

What is the IUPAC name of [(3-bromophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [(3-bromophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine (CID 105197955) is [(3-bromophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine is CCn1cc(C(NN)c2cccc(Br)c2)cn1.
What is the InChIKey of [(3-bromophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is ITIUTIPWAZRQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-2-17-8-10(7-15-17)12(16-14)9-4-3-5-11(13)6-9/h3-8,12,16H,2,14H2,1H3.
What are the key properties of [(3-bromophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine?
[(3-bromophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 295.18 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105197955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).