[1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine

C13H16Br2N4 — CID 107948596

IUPAC[1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
SMILESCn1nccc1CCC(NN)c1ccc(Br)cc1Br
InChIInChI=1S/C13H16Br2N4/c1-19-10(6-7-17-19)3-5-13(18-16)11-4-2-9(14)8-12(11)15/h2,4,6-8,13,18H,3,5,16H2,1H3
InChIKeyRAMQDIPSCHOEDY-UHFFFAOYSA-N
MW388.11 g/mol
LogP3.08
Rot. Bonds5

About [1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine

[1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine (PubChem CID 107948596) has the molecular formula C13H16Br2N4 and a molecular weight of 388.11 g/mol. Its IUPAC name is [1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
PubChem CID107948596
Molecular FormulaC13H16Br2N4
Molecular Weight388.11 g/mol
Exact Mass385.97
IUPAC Name[1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
SMILESCn1nccc1CCC(NN)c1ccc(Br)cc1Br
InChIInChI=1S/C13H16Br2N4/c1-19-10(6-7-17-19)3-5-13(18-16)11-4-2-9(14)8-12(11)15/h2,4,6-8,13,18H,3,5,16H2,1H3
InChIKeyRAMQDIPSCHOEDY-UHFFFAOYSA-N
XLogP3.08
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.11
LogP ≤ 53.08
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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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine?
The IUPAC name of [1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine (CID 107948596) is [1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine.
What is the SMILES notation for [1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine?
The canonical SMILES for [1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine is Cn1nccc1CCC(NN)c1ccc(Br)cc1Br.
What is the InChIKey of [1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine?
The InChIKey is RAMQDIPSCHOEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N4/c1-19-10(6-7-17-19)3-5-13(18-16)11-4-2-9(14)8-12(11)15/h2,4,6-8,13,18H,3,5,16H2,1H3.
What are the key properties of [1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine?
[1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine has a molecular weight of 388.11 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine is sourced from PubChem (CID 107948596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).