4-(3-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid

C9H11FIN3O2 — CID 146487791

IUPAC4-(3-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2cc(I)c(F)n2)CC1
InChIInChI=1S/C9H11FIN3O2/c10-8-7(11)5-14(12-8)6-1-3-13(4-2-6)9(15)16/h5-6H,1-4H2,(H,15,16)
InChIKeyAAEAATQETBCJAX-UHFFFAOYSA-N
MW339.11 g/mol
LogP1.94
Rot. Bonds1

About 4-(3-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid

4-(3-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid (PubChem CID 146487791) has the molecular formula C9H11FIN3O2 and a molecular weight of 339.11 g/mol. Its IUPAC name is 4-(3-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid
PubChem CID146487791
Molecular FormulaC9H11FIN3O2
Molecular Weight339.11 g/mol
Exact Mass338.99
IUPAC Name4-(3-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2cc(I)c(F)n2)CC1
InChIInChI=1S/C9H11FIN3O2/c10-8-7(11)5-14(12-8)6-1-3-13(4-2-6)9(15)16/h5-6H,1-4H2,(H,15,16)
InChIKeyAAEAATQETBCJAX-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'}

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Related Compounds

4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid
CID 166745303
4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid
CID 67027237
4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid
CID 170350484
4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)piperidine-1-carboxylic acid
CID 90780421
4-pyrrol-1-ylpiperidine-1-carboxylic acid
CID 118110284
4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid
CID 139535625
4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid
CID 66986290
4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 22047977
2-cyclopentyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
CID 118469457
3-(4-iodopyrazol-1-yl)azetidine-1-carboxylic acid
CID 66867994
4-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]piperidine-1-carboxylic acid
CID 170350438
4-(6-oxo-5-phenylpyrimidin-1-yl)piperidine-1-carboxylic acid
CID 175295022

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid (CID 146487791) is 4-(3-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(n2cc(I)c(F)n2)CC1.
What is the InChIKey of 4-(3-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid?
The InChIKey is AAEAATQETBCJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FIN3O2/c10-8-7(11)5-14(12-8)6-1-3-13(4-2-6)9(15)16/h5-6H,1-4H2,(H,15,16).
What are the key properties of 4-(3-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid?
4-(3-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-(3-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 146487791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).