2-[5-(2,5-difluorophenyl)pyrazolidin-3-yl]ethanamine

C11H15F2N3 — CID 77099182

IUPAC2-[5-(2,5-difluorophenyl)pyrazolidin-3-yl]ethanamine
SMILESNCCC1CC(c2cc(F)ccc2F)NN1
InChIInChI=1S/C11H15F2N3/c12-7-1-2-10(13)9(5-7)11-6-8(3-4-14)15-16-11/h1-2,5,8,11,15-16H,3-4,6,14H2
InChIKeyYHQVMGDMOVEDBJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.22
Rot. Bonds3

About 2-[5-(2,5-difluorophenyl)pyrazolidin-3-yl]ethanamine

2-[5-(2,5-difluorophenyl)pyrazolidin-3-yl]ethanamine (PubChem CID 77099182) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[5-(2,5-difluorophenyl)pyrazolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2,5-difluorophenyl)pyrazolidin-3-yl]ethanamine
PubChem CID77099182
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[5-(2,5-difluorophenyl)pyrazolidin-3-yl]ethanamine
SMILESNCCC1CC(c2cc(F)ccc2F)NN1
InChIInChI=1S/C11H15F2N3/c12-7-1-2-10(13)9(5-7)11-6-8(3-4-14)15-16-11/h1-2,5,8,11,15-16H,3-4,6,14H2
InChIKeyYHQVMGDMOVEDBJ-UHFFFAOYSA-N
XLogP1.22
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-difluorophenyl)pyrazolidin-3-yl]ethanamine?
The IUPAC name of 2-[5-(2,5-difluorophenyl)pyrazolidin-3-yl]ethanamine (CID 77099182) is 2-[5-(2,5-difluorophenyl)pyrazolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2,5-difluorophenyl)pyrazolidin-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2,5-difluorophenyl)pyrazolidin-3-yl]ethanamine is NCCC1CC(c2cc(F)ccc2F)NN1.
What is the InChIKey of 2-[5-(2,5-difluorophenyl)pyrazolidin-3-yl]ethanamine?
The InChIKey is YHQVMGDMOVEDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3/c12-7-1-2-10(13)9(5-7)11-6-8(3-4-14)15-16-11/h1-2,5,8,11,15-16H,3-4,6,14H2.
What are the key properties of 2-[5-(2,5-difluorophenyl)pyrazolidin-3-yl]ethanamine?
2-[5-(2,5-difluorophenyl)pyrazolidin-3-yl]ethanamine has a molecular weight of 227.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-difluorophenyl)pyrazolidin-3-yl]ethanamine is sourced from PubChem (CID 77099182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).