2-[6-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]-3-pyridinyl]propan-2-ol

C17H15FIN3O — CID 58302322

IUPAC2-[6-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2nn(-c3ccc(F)cc3)cc2I)nc1
InChIInChI=1S/C17H15FIN3O/c1-17(2,23)11-3-8-15(20-9-11)16-14(19)10-22(21-16)13-6-4-12(18)5-7-13/h3-10,23H,1-2H3
InChIKeySHTKQDMJUIUZNL-UHFFFAOYSA-N
MW423.23 g/mol
LogP3.91
Rot. Bonds3

About 2-[6-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]-3-pyridinyl]propan-2-ol

2-[6-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]-3-pyridinyl]propan-2-ol (PubChem CID 58302322) has the molecular formula C17H15FIN3O and a molecular weight of 423.23 g/mol. Its IUPAC name is 2-[6-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]-3-pyridinyl]propan-2-ol
PubChem CID58302322
Molecular FormulaC17H15FIN3O
Molecular Weight423.23 g/mol
Exact Mass423.02
IUPAC Name2-[6-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2nn(-c3ccc(F)cc3)cc2I)nc1
InChIInChI=1S/C17H15FIN3O/c1-17(2,23)11-3-8-15(20-9-11)16-14(19)10-22(21-16)13-6-4-12(18)5-7-13/h3-10,23H,1-2H3
InChIKeySHTKQDMJUIUZNL-UHFFFAOYSA-N
XLogP3.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.23
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]-3-pyridinyl]propan-2-ol (CID 58302322) is 2-[6-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]-3-pyridinyl]propan-2-ol is CC(C)(O)c1ccc(-c2nn(-c3ccc(F)cc3)cc2I)nc1.
What is the InChIKey of 2-[6-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]-3-pyridinyl]propan-2-ol?
The InChIKey is SHTKQDMJUIUZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FIN3O/c1-17(2,23)11-3-8-15(20-9-11)16-14(19)10-22(21-16)13-6-4-12(18)5-7-13/h3-10,23H,1-2H3.
What are the key properties of 2-[6-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]-3-pyridinyl]propan-2-ol?
2-[6-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]-3-pyridinyl]propan-2-ol has a molecular weight of 423.23 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 58302322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).