3-fluoro-1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid

C11H14FN3O3 — CID 119258114

IUPAC3-fluoro-1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N1CCC(F)(C(=O)O)C1)n1cccn1
InChIInChI=1S/C11H14FN3O3/c1-8(15-5-2-4-13-15)9(16)14-6-3-11(12,7-14)10(17)18/h2,4-5,8H,3,6-7H2,1H3,(H,17,18)
InChIKeyHBFRYDGTARDGOY-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.47
Rot. Bonds3

About 3-fluoro-1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 119258114) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-fluoro-1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID119258114
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name3-fluoro-1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N1CCC(F)(C(=O)O)C1)n1cccn1
InChIInChI=1S/C11H14FN3O3/c1-8(15-5-2-4-13-15)9(16)14-6-3-11(12,7-14)10(17)18/h2,4-5,8H,3,6-7H2,1H3,(H,17,18)
InChIKeyHBFRYDGTARDGOY-UHFFFAOYSA-N
XLogP0.47
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid (CID 119258114) is 3-fluoro-1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid is CC(C(=O)N1CCC(F)(C(=O)O)C1)n1cccn1.
What is the InChIKey of 3-fluoro-1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is HBFRYDGTARDGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-8(15-5-2-4-13-15)9(16)14-6-3-11(12,7-14)10(17)18/h2,4-5,8H,3,6-7H2,1H3,(H,17,18).
What are the key properties of 3-fluoro-1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 255.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).