4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid

C9H11FIN3O2 — CID 166745303

IUPAC4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2ncc(I)c2F)CC1
InChIInChI=1S/C9H11FIN3O2/c10-8-7(11)5-12-14(8)6-1-3-13(4-2-6)9(15)16/h5-6H,1-4H2,(H,15,16)
InChIKeyFOZZZESJTJXLFS-UHFFFAOYSA-N
MW339.11 g/mol
LogP1.94
Rot. Bonds1

About 4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid

4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid (PubChem CID 166745303) has the molecular formula C9H11FIN3O2 and a molecular weight of 339.11 g/mol. Its IUPAC name is 4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid
PubChem CID166745303
Molecular FormulaC9H11FIN3O2
Molecular Weight339.11 g/mol
Exact Mass338.99
IUPAC Name4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2ncc(I)c2F)CC1
InChIInChI=1S/C9H11FIN3O2/c10-8-7(11)5-12-14(8)6-1-3-13(4-2-6)9(15)16/h5-6H,1-4H2,(H,15,16)
InChIKeyFOZZZESJTJXLFS-UHFFFAOYSA-N
XLogP1.94
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.11
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-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

Related Compounds

1-cyclopropyl-5-fluoro-4-iodopyrazole
CID 167721010
1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid
CID 115013687
4-(3-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid
CID 146487791
4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylic acid
CID 139535859
4-(5-cyano-4-ethynylpyrazol-1-yl)piperidine-1-carboxylic acid
CID 87416642
4-(5-chloro-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid
CID 175295010
4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid
CID 67027237
2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)acetic acid
CID 115035957
1-cyclopropyl-4-iodopyrazol-5-amine
CID 118075725
1-cyclopropyl-5-fluoropyrazol-4-amine
CID 115011395
4-pyrrol-1-ylpiperidine-1-carboxylic acid
CID 118110284
4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid
CID 139535625

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid (CID 166745303) is 4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(n2ncc(I)c2F)CC1.
What is the InChIKey of 4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid?
The InChIKey is FOZZZESJTJXLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FIN3O2/c10-8-7(11)5-12-14(8)6-1-3-13(4-2-6)9(15)16/h5-6H,1-4H2,(H,15,16).
What are the key properties of 4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid?
4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid has a molecular weight of 339.11 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 166745303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).