5-(2-fluorophenyl)-4-iodo-1-phenylmethoxypyrazole

C16H12FIN2O — CID 11303970

IUPAC5-(2-fluorophenyl)-4-iodo-1-phenylmethoxypyrazole
SMILESFc1ccccc1-c1c(I)cnn1OCc1ccccc1
InChIInChI=1S/C16H12FIN2O/c17-14-9-5-4-8-13(14)16-15(18)10-19-20(16)21-11-12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyPPVWCUZEQYTATR-UHFFFAOYSA-N
MW394.19 g/mol
LogP3.92
Rot. Bonds4

About 5-(2-fluorophenyl)-4-iodo-1-phenylmethoxypyrazole

5-(2-fluorophenyl)-4-iodo-1-phenylmethoxypyrazole (PubChem CID 11303970) has the molecular formula C16H12FIN2O and a molecular weight of 394.19 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-4-iodo-1-phenylmethoxypyrazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-4-iodo-1-phenylmethoxypyrazole
PubChem CID11303970
Molecular FormulaC16H12FIN2O
Molecular Weight394.19 g/mol
Exact Mass394.00
IUPAC Name5-(2-fluorophenyl)-4-iodo-1-phenylmethoxypyrazole
SMILESFc1ccccc1-c1c(I)cnn1OCc1ccccc1
InChIInChI=1S/C16H12FIN2O/c17-14-9-5-4-8-13(14)16-15(18)10-19-20(16)21-11-12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyPPVWCUZEQYTATR-UHFFFAOYSA-N
XLogP3.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.19
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-4-iodo-1-phenylmethoxypyrazole?
The IUPAC name of 5-(2-fluorophenyl)-4-iodo-1-phenylmethoxypyrazole (CID 11303970) is 5-(2-fluorophenyl)-4-iodo-1-phenylmethoxypyrazole.
What is the SMILES notation for 5-(2-fluorophenyl)-4-iodo-1-phenylmethoxypyrazole?
The canonical SMILES for 5-(2-fluorophenyl)-4-iodo-1-phenylmethoxypyrazole is Fc1ccccc1-c1c(I)cnn1OCc1ccccc1.
What is the InChIKey of 5-(2-fluorophenyl)-4-iodo-1-phenylmethoxypyrazole?
The InChIKey is PPVWCUZEQYTATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FIN2O/c17-14-9-5-4-8-13(14)16-15(18)10-19-20(16)21-11-12-6-2-1-3-7-12/h1-10H,11H2.
What are the key properties of 5-(2-fluorophenyl)-4-iodo-1-phenylmethoxypyrazole?
5-(2-fluorophenyl)-4-iodo-1-phenylmethoxypyrazole has a molecular weight of 394.19 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-4-iodo-1-phenylmethoxypyrazole is sourced from PubChem (CID 11303970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).