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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Related Compounds

5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic acid
CID 19709519
(2S,3S)-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxylic acid
CID 82389062
[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(2-fluorophenyl)pyrazolidin-4-yl]methanone
CID 74775038
N-[3-(cyclohexylamino)-3-oxopropyl]-3-(2-fluorophenyl)pyrazolidine-4-carboxamide
CID 133108056
[3-(2-fluorophenyl)pyrazolidin-4-yl]-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 134080876
5-(2-fluorophenyl)-2-oxoimidazolidine-4-carboxylic acid
CID 83849942
2-(2-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid
CID 77185254
(3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 124675442
4-(2-fluorophenyl)pyrrolidine-1,3-dicarboxylic acid
CID 166790516
5-(2-fluorophenyl)-1,1-dioxothiepane-4-carboxylic acid
CID 84813811
5-(2-fluorophenyl)-4-methylsulfonylpyrrolidine-2-carboxylic acid
CID 19700420
3-(2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 68970816

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).