[(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine

C13H16Br2N4O — CID 105339423

IUPAC[(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
SMILESCCn1ncc(OC)c1C(NN)c1cc(Br)ccc1Br
InChIInChI=1S/C13H16Br2N4O/c1-3-19-13(11(20-2)7-17-19)12(18-16)9-6-8(14)4-5-10(9)15/h4-7,12,18H,3,16H2,1-2H3
InChIKeyJCHLEFUASMPZHW-UHFFFAOYSA-N
MW404.11 g/mol
LogP2.99
Rot. Bonds5

About [(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine

[(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine (PubChem CID 105339423) has the molecular formula C13H16Br2N4O and a molecular weight of 404.11 g/mol. Its IUPAC name is [(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
PubChem CID105339423
Molecular FormulaC13H16Br2N4O
Molecular Weight404.11 g/mol
Exact Mass401.97
IUPAC Name[(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
SMILESCCn1ncc(OC)c1C(NN)c1cc(Br)ccc1Br
InChIInChI=1S/C13H16Br2N4O/c1-3-19-13(11(20-2)7-17-19)12(18-16)9-6-8(14)4-5-10(9)15/h4-7,12,18H,3,16H2,1-2H3
InChIKeyJCHLEFUASMPZHW-UHFFFAOYSA-N
XLogP2.99
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.11
LogP ≤ 52.99
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

[(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339573
4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline
CID 105263508
1-(2-bromo-5-methylphenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105047758
1-(5-bromo-2-chlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105048031
[(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339439
[(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105268019
[(2,6-dimethyl-3-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339360
N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 114646936
(5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634963
[(2,3-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339380
[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105339343
[(1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methyl]hydrazine
CID 106850526

Frequently Asked Questions

What is the IUPAC name of [(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine (CID 105339423) is [(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine is CCn1ncc(OC)c1C(NN)c1cc(Br)ccc1Br.
What is the InChIKey of [(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine?
The InChIKey is JCHLEFUASMPZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N4O/c1-3-19-13(11(20-2)7-17-19)12(18-16)9-6-8(14)4-5-10(9)15/h4-7,12,18H,3,16H2,1-2H3.
What are the key properties of [(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine?
[(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine has a molecular weight of 404.11 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105339423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).