3-(4-bromophenyl)-5-(chloromethyl)pyrazolidine

C10H12BrClN2 — CID 77099447

IUPAC3-(4-bromophenyl)-5-(chloromethyl)pyrazolidine
SMILESClCC1CC(c2ccc(Br)cc2)NN1
InChIInChI=1S/C10H12BrClN2/c11-8-3-1-7(2-4-8)10-5-9(6-12)13-14-10/h1-4,9-10,13-14H,5-6H2
InChIKeyJECPUPFSZRWJSW-UHFFFAOYSA-N
MW275.58 g/mol
LogP2.60
Rot. Bonds2

About 3-(4-bromophenyl)-5-(chloromethyl)pyrazolidine

3-(4-bromophenyl)-5-(chloromethyl)pyrazolidine (PubChem CID 77099447) has the molecular formula C10H12BrClN2 and a molecular weight of 275.58 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(chloromethyl)pyrazolidine.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(chloromethyl)pyrazolidine
PubChem CID77099447
Molecular FormulaC10H12BrClN2
Molecular Weight275.58 g/mol
Exact Mass273.99
IUPAC Name3-(4-bromophenyl)-5-(chloromethyl)pyrazolidine
SMILESClCC1CC(c2ccc(Br)cc2)NN1
InChIInChI=1S/C10H12BrClN2/c11-8-3-1-7(2-4-8)10-5-9(6-12)13-14-10/h1-4,9-10,13-14H,5-6H2
InChIKeyJECPUPFSZRWJSW-UHFFFAOYSA-N
XLogP2.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.58
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-(4-bromophenyl)-5-(chloromethyl)pyrazolidine?
The IUPAC name of 3-(4-bromophenyl)-5-(chloromethyl)pyrazolidine (CID 77099447) is 3-(4-bromophenyl)-5-(chloromethyl)pyrazolidine.
What is the SMILES notation for 3-(4-bromophenyl)-5-(chloromethyl)pyrazolidine?
The canonical SMILES for 3-(4-bromophenyl)-5-(chloromethyl)pyrazolidine is ClCC1CC(c2ccc(Br)cc2)NN1.
What is the InChIKey of 3-(4-bromophenyl)-5-(chloromethyl)pyrazolidine?
The InChIKey is JECPUPFSZRWJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2/c11-8-3-1-7(2-4-8)10-5-9(6-12)13-14-10/h1-4,9-10,13-14H,5-6H2.
What are the key properties of 3-(4-bromophenyl)-5-(chloromethyl)pyrazolidine?
3-(4-bromophenyl)-5-(chloromethyl)pyrazolidine has a molecular weight of 275.58 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(chloromethyl)pyrazolidine is sourced from PubChem (CID 77099447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).