2-[3-(4-fluorophenyl)-4-iodo-1H-pyrazol-5-yl]ethanol

C11H10FIN2O — CID 67438332

IUPAC2-[3-(4-fluorophenyl)-4-iodo-1H-pyrazol-5-yl]ethanol
SMILESOCCc1[nH]nc(-c2ccc(F)cc2)c1I
InChIInChI=1S/C11H10FIN2O/c12-8-3-1-7(2-4-8)11-10(13)9(5-6-16)14-15-11/h1-4,16H,5-6H2,(H,14,15)
InChIKeyFZRFSQHUYHBCNM-UHFFFAOYSA-N
MW332.12 g/mol
LogP2.36
Rot. Bonds3

About 2-[3-(4-fluorophenyl)-4-iodo-1H-pyrazol-5-yl]ethanol

2-[3-(4-fluorophenyl)-4-iodo-1H-pyrazol-5-yl]ethanol (PubChem CID 67438332) has the molecular formula C11H10FIN2O and a molecular weight of 332.12 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-4-iodo-1H-pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-4-iodo-1H-pyrazol-5-yl]ethanol
PubChem CID67438332
Molecular FormulaC11H10FIN2O
Molecular Weight332.12 g/mol
Exact Mass331.98
IUPAC Name2-[3-(4-fluorophenyl)-4-iodo-1H-pyrazol-5-yl]ethanol
SMILESOCCc1[nH]nc(-c2ccc(F)cc2)c1I
InChIInChI=1S/C11H10FIN2O/c12-8-3-1-7(2-4-8)11-10(13)9(5-6-16)14-15-11/h1-4,16H,5-6H2,(H,14,15)
InChIKeyFZRFSQHUYHBCNM-UHFFFAOYSA-N
XLogP2.36
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[3-(4-fluorophenyl)-4-iodo-1H-pyrazol-5-yl]ethanol?
The IUPAC name of 2-[3-(4-fluorophenyl)-4-iodo-1H-pyrazol-5-yl]ethanol (CID 67438332) is 2-[3-(4-fluorophenyl)-4-iodo-1H-pyrazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-4-iodo-1H-pyrazol-5-yl]ethanol?
The canonical SMILES for 2-[3-(4-fluorophenyl)-4-iodo-1H-pyrazol-5-yl]ethanol is OCCc1[nH]nc(-c2ccc(F)cc2)c1I.
What is the InChIKey of 2-[3-(4-fluorophenyl)-4-iodo-1H-pyrazol-5-yl]ethanol?
The InChIKey is FZRFSQHUYHBCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FIN2O/c12-8-3-1-7(2-4-8)11-10(13)9(5-6-16)14-15-11/h1-4,16H,5-6H2,(H,14,15).
What are the key properties of 2-[3-(4-fluorophenyl)-4-iodo-1H-pyrazol-5-yl]ethanol?
2-[3-(4-fluorophenyl)-4-iodo-1H-pyrazol-5-yl]ethanol has a molecular weight of 332.12 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-4-iodo-1H-pyrazol-5-yl]ethanol is sourced from PubChem (CID 67438332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).