1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid

C15H18FN3O3 — CID 75588874

IUPAC1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CC2CNNC2c2ccc(F)cc2)C1
InChIInChI=1S/C15H18FN3O3/c16-12-3-1-9(2-4-12)14-11(6-17-18-14)8-19-7-10(15(21)22)5-13(19)20/h1-4,10-11,14,17-18H,5-8H2,(H,21,22)
InChIKeyMEYCIKUAXDKWIJ-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.52
Rot. Bonds4

About 1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid

1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 75588874) has the molecular formula C15H18FN3O3 and a molecular weight of 307.32 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID75588874
Molecular FormulaC15H18FN3O3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CC2CNNC2c2ccc(F)cc2)C1
InChIInChI=1S/C15H18FN3O3/c16-12-3-1-9(2-4-12)14-11(6-17-18-14)8-19-7-10(15(21)22)5-13(19)20/h1-4,10-11,14,17-18H,5-8H2,(H,21,22)
InChIKeyMEYCIKUAXDKWIJ-UHFFFAOYSA-N
XLogP0.52
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid (CID 75588874) is 1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(CC2CNNC2c2ccc(F)cc2)C1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is MEYCIKUAXDKWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c16-12-3-1-9(2-4-12)14-11(6-17-18-14)8-19-7-10(15(21)22)5-13(19)20/h1-4,10-11,14,17-18H,5-8H2,(H,21,22).
What are the key properties of 1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 307.32 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 75588874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).