5-(4-fluorophenyl)pyrazolidine-3-carboxylic acid

C10H11FN2O2 — CID 71650418

IUPAC5-(4-fluorophenyl)pyrazolidine-3-carboxylic acid
SMILESO=C(O)C1CC(c2ccc(F)cc2)NN1
InChIInChI=1S/C10H11FN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-4,8-9,12-13H,5H2,(H,14,15)
InChIKeyJEKOFUGQSWGFIF-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.82
Rot. Bonds2

About 5-(4-fluorophenyl)pyrazolidine-3-carboxylic acid

5-(4-fluorophenyl)pyrazolidine-3-carboxylic acid (PubChem CID 71650418) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 5-(4-fluorophenyl)pyrazolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)pyrazolidine-3-carboxylic acid
PubChem CID71650418
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name5-(4-fluorophenyl)pyrazolidine-3-carboxylic acid
SMILESO=C(O)C1CC(c2ccc(F)cc2)NN1
InChIInChI=1S/C10H11FN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-4,8-9,12-13H,5H2,(H,14,15)
InChIKeyJEKOFUGQSWGFIF-UHFFFAOYSA-N
XLogP0.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)pyrazolidine-3-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)pyrazolidine-3-carboxylic acid (CID 71650418) is 5-(4-fluorophenyl)pyrazolidine-3-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)pyrazolidine-3-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)pyrazolidine-3-carboxylic acid is O=C(O)C1CC(c2ccc(F)cc2)NN1.
What is the InChIKey of 5-(4-fluorophenyl)pyrazolidine-3-carboxylic acid?
The InChIKey is JEKOFUGQSWGFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-4,8-9,12-13H,5H2,(H,14,15).
What are the key properties of 5-(4-fluorophenyl)pyrazolidine-3-carboxylic acid?
5-(4-fluorophenyl)pyrazolidine-3-carboxylic acid has a molecular weight of 210.21 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)pyrazolidine-3-carboxylic acid is sourced from PubChem (CID 71650418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).