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

C13H17BrN4O — CID 105289879

IUPAC[(2-bromo-5-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
SMILESCCn1cc(C(NN)c2cc(OC)ccc2Br)cn1
InChIInChI=1S/C13H17BrN4O/c1-3-18-8-9(7-16-18)13(17-15)11-6-10(19-2)4-5-12(11)14/h4-8,13,17H,3,15H2,1-2H3
InChIKeyNUJAVOJEOIMZFR-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.23
Rot. Bonds5

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

[(2-bromo-5-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine (PubChem CID 105289879) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is [(2-bromo-5-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-5-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
PubChem CID105289879
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name[(2-bromo-5-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
SMILESCCn1cc(C(NN)c2cc(OC)ccc2Br)cn1
InChIInChI=1S/C13H17BrN4O/c1-3-18-8-9(7-16-18)13(17-15)11-6-10(19-2)4-5-12(11)14/h4-8,13,17H,3,15H2,1-2H3
InChIKeyNUJAVOJEOIMZFR-UHFFFAOYSA-N
XLogP2.23
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
[(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283642
[(4-bromo-3-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289852
[(2-bromo-5-methoxyphenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105326340
[(2-bromo-5-methoxyphenyl)-(3-ethoxyphenyl)methyl]hydrazine
CID 105328079
[(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105307040
N-[(2-bromo-5-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815855
[(3-bromophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105197955
N-[(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815982
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(2-bromo-5-methoxyphenyl)-N-methylmethanamine
CID 105183041
[(1-ethylpyrazol-4-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105279798
N-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816130

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-5-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-5-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine (CID 105289879) is [(2-bromo-5-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-5-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-5-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine is CCn1cc(C(NN)c2cc(OC)ccc2Br)cn1.
What is the InChIKey of [(2-bromo-5-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is NUJAVOJEOIMZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-3-18-8-9(7-16-18)13(17-15)11-6-10(19-2)4-5-12(11)14/h4-8,13,17H,3,15H2,1-2H3.
What are the key properties of [(2-bromo-5-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine?
[(2-bromo-5-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 325.21 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-5-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105289879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).