3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid

C10H11FN2O2 — CID 53441832

IUPAC3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid
SMILESO=C(O)C1CNNC1c1ccccc1F
InChIInChI=1S/C10H11FN2O2/c11-8-4-2-1-3-6(8)9-7(10(14)15)5-12-13-9/h1-4,7,9,12-13H,5H2,(H,14,15)
InChIKeyVZOJNRUNHWNVEC-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.68
Rot. Bonds2

About 3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid

3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid (PubChem CID 53441832) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid
PubChem CID53441832
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid
SMILESO=C(O)C1CNNC1c1ccccc1F
InChIInChI=1S/C10H11FN2O2/c11-8-4-2-1-3-6(8)9-7(10(14)15)5-12-13-9/h1-4,7,9,12-13H,5H2,(H,14,15)
InChIKeyVZOJNRUNHWNVEC-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid (CID 53441832) is 3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid is O=C(O)C1CNNC1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid?
The InChIKey is VZOJNRUNHWNVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c11-8-4-2-1-3-6(8)9-7(10(14)15)5-12-13-9/h1-4,7,9,12-13H,5H2,(H,14,15).
What are the key properties of 3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid?
3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid has a molecular weight of 210.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid is sourced from PubChem (CID 53441832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).