4-bromo-5-(4-bromophenyl)pyrazolidin-3-amine

C9H11Br2N3 — CID 138059026

IUPAC4-bromo-5-(4-bromophenyl)pyrazolidin-3-amine
SMILESNC1NNC(c2ccc(Br)cc2)C1Br
InChIInChI=1S/C9H11Br2N3/c10-6-3-1-5(2-4-6)8-7(11)9(12)14-13-8/h1-4,7-9,13-14H,12H2
InChIKeyGTQVOGWZENITBI-UHFFFAOYSA-N
MW321.02 g/mol
LogP1.65
Rot. Bonds1

About 4-bromo-5-(4-bromophenyl)pyrazolidin-3-amine

4-bromo-5-(4-bromophenyl)pyrazolidin-3-amine (PubChem CID 138059026) has the molecular formula C9H11Br2N3 and a molecular weight of 321.02 g/mol. Its IUPAC name is 4-bromo-5-(4-bromophenyl)pyrazolidin-3-amine.

Molecular Properties

Compound Name4-bromo-5-(4-bromophenyl)pyrazolidin-3-amine
PubChem CID138059026
Molecular FormulaC9H11Br2N3
Molecular Weight321.02 g/mol
Exact Mass318.93
IUPAC Name4-bromo-5-(4-bromophenyl)pyrazolidin-3-amine
SMILESNC1NNC(c2ccc(Br)cc2)C1Br
InChIInChI=1S/C9H11Br2N3/c10-6-3-1-5(2-4-6)8-7(11)9(12)14-13-8/h1-4,7-9,13-14H,12H2
InChIKeyGTQVOGWZENITBI-UHFFFAOYSA-N
XLogP1.65
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.02
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-bromophenyl)pyrazolidin-3-amine?
The IUPAC name of 4-bromo-5-(4-bromophenyl)pyrazolidin-3-amine (CID 138059026) is 4-bromo-5-(4-bromophenyl)pyrazolidin-3-amine.
What is the SMILES notation for 4-bromo-5-(4-bromophenyl)pyrazolidin-3-amine?
The canonical SMILES for 4-bromo-5-(4-bromophenyl)pyrazolidin-3-amine is NC1NNC(c2ccc(Br)cc2)C1Br.
What is the InChIKey of 4-bromo-5-(4-bromophenyl)pyrazolidin-3-amine?
The InChIKey is GTQVOGWZENITBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2N3/c10-6-3-1-5(2-4-6)8-7(11)9(12)14-13-8/h1-4,7-9,13-14H,12H2.
What are the key properties of 4-bromo-5-(4-bromophenyl)pyrazolidin-3-amine?
4-bromo-5-(4-bromophenyl)pyrazolidin-3-amine has a molecular weight of 321.02 g/mol, XLogP of 1.65, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-bromophenyl)pyrazolidin-3-amine is sourced from PubChem (CID 138059026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).