4-fluoro-2-(pyridazin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid

C10H11FN4O3 — CID 69259895

IUPAC4-fluoro-2-(pyridazin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESO=C(Nc1cccnn1)C1CC(F)CN1C(=O)O
InChIInChI=1S/C10H11FN4O3/c11-6-4-7(15(5-6)10(17)18)9(16)13-8-2-1-3-12-14-8/h1-3,6-7H,4-5H2,(H,17,18)(H,13,14,16)
InChIKeyZWYKVGZBISMDFN-UHFFFAOYSA-N
MW254.22 g/mol
LogP0.51
Rot. Bonds2

About 4-fluoro-2-(pyridazin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid

4-fluoro-2-(pyridazin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid (PubChem CID 69259895) has the molecular formula C10H11FN4O3 and a molecular weight of 254.22 g/mol. Its IUPAC name is 4-fluoro-2-(pyridazin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-2-(pyridazin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid
PubChem CID69259895
Molecular FormulaC10H11FN4O3
Molecular Weight254.22 g/mol
Exact Mass254.08
IUPAC Name4-fluoro-2-(pyridazin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESO=C(Nc1cccnn1)C1CC(F)CN1C(=O)O
InChIInChI=1S/C10H11FN4O3/c11-6-4-7(15(5-6)10(17)18)9(16)13-8-2-1-3-12-14-8/h1-3,6-7H,4-5H2,(H,17,18)(H,13,14,16)
InChIKeyZWYKVGZBISMDFN-UHFFFAOYSA-N
XLogP0.51
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-2-(pyridazin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(pyridazin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 4-fluoro-2-(pyridazin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid (CID 69259895) is 4-fluoro-2-(pyridazin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-2-(pyridazin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 4-fluoro-2-(pyridazin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid is O=C(Nc1cccnn1)C1CC(F)CN1C(=O)O.
What is the InChIKey of 4-fluoro-2-(pyridazin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid?
The InChIKey is ZWYKVGZBISMDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O3/c11-6-4-7(15(5-6)10(17)18)9(16)13-8-2-1-3-12-14-8/h1-3,6-7H,4-5H2,(H,17,18)(H,13,14,16).
What are the key properties of 4-fluoro-2-(pyridazin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid?
4-fluoro-2-(pyridazin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid has a molecular weight of 254.22 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(pyridazin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69259895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).