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

C9H11BrFN3 — CID 76914089

IUPAC5-(4-bromo-3-fluorophenyl)pyrazolidin-3-amine
SMILESNC1CC(c2ccc(Br)c(F)c2)NN1
InChIInChI=1S/C9H11BrFN3/c10-6-2-1-5(3-7(6)11)8-4-9(12)14-13-8/h1-3,8-9,13-14H,4,12H2
InChIKeyOTXJCEDSGGNNKC-UHFFFAOYSA-N
MW260.11 g/mol
LogP1.41
Rot. Bonds1

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

5-(4-bromo-3-fluorophenyl)pyrazolidin-3-amine (PubChem CID 76914089) has the molecular formula C9H11BrFN3 and a molecular weight of 260.11 g/mol. Its IUPAC name is 5-(4-bromo-3-fluorophenyl)pyrazolidin-3-amine.

Molecular Properties

Compound Name5-(4-bromo-3-fluorophenyl)pyrazolidin-3-amine
PubChem CID76914089
Molecular FormulaC9H11BrFN3
Molecular Weight260.11 g/mol
Exact Mass259.01
IUPAC Name5-(4-bromo-3-fluorophenyl)pyrazolidin-3-amine
SMILESNC1CC(c2ccc(Br)c(F)c2)NN1
InChIInChI=1S/C9H11BrFN3/c10-6-2-1-5(3-7(6)11)8-4-9(12)14-13-8/h1-3,8-9,13-14H,4,12H2
InChIKeyOTXJCEDSGGNNKC-UHFFFAOYSA-N
XLogP1.41
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-fluorophenyl)pyrazolidin-3-amine?
The IUPAC name of 5-(4-bromo-3-fluorophenyl)pyrazolidin-3-amine (CID 76914089) is 5-(4-bromo-3-fluorophenyl)pyrazolidin-3-amine.
What is the SMILES notation for 5-(4-bromo-3-fluorophenyl)pyrazolidin-3-amine?
The canonical SMILES for 5-(4-bromo-3-fluorophenyl)pyrazolidin-3-amine is NC1CC(c2ccc(Br)c(F)c2)NN1.
What is the InChIKey of 5-(4-bromo-3-fluorophenyl)pyrazolidin-3-amine?
The InChIKey is OTXJCEDSGGNNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN3/c10-6-2-1-5(3-7(6)11)8-4-9(12)14-13-8/h1-3,8-9,13-14H,4,12H2.
What are the key properties of 5-(4-bromo-3-fluorophenyl)pyrazolidin-3-amine?
5-(4-bromo-3-fluorophenyl)pyrazolidin-3-amine has a molecular weight of 260.11 g/mol, XLogP of 1.41, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-fluorophenyl)pyrazolidin-3-amine is sourced from PubChem (CID 76914089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).