5-(4-fluorophenyl)-4-iodo-1H-pyrazole

C9H6FIN2 — CID 63735008

IUPAC5-(4-fluorophenyl)-4-iodo-1H-pyrazole
SMILESFc1ccc(-c2[nH]ncc2I)cc1
InChIInChI=1S/C9H6FIN2/c10-7-3-1-6(2-4-7)9-8(11)5-12-13-9/h1-5H,(H,12,13)
InChIKeyMMSNGCCCOOSTOT-UHFFFAOYSA-N
MW288.06 g/mol
LogP2.82
Rot. Bonds1

About 5-(4-fluorophenyl)-4-iodo-1H-pyrazole

5-(4-fluorophenyl)-4-iodo-1H-pyrazole (PubChem CID 63735008) has the molecular formula C9H6FIN2 and a molecular weight of 288.06 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-iodo-1H-pyrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-iodo-1H-pyrazole
PubChem CID63735008
Molecular FormulaC9H6FIN2
Molecular Weight288.06 g/mol
Exact Mass287.96
IUPAC Name5-(4-fluorophenyl)-4-iodo-1H-pyrazole
SMILESFc1ccc(-c2[nH]ncc2I)cc1
InChIInChI=1S/C9H6FIN2/c10-7-3-1-6(2-4-7)9-8(11)5-12-13-9/h1-5H,(H,12,13)
InChIKeyMMSNGCCCOOSTOT-UHFFFAOYSA-N
XLogP2.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.06
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(4-fluorophenyl)-4-iodo-1H-pyrazole?
The IUPAC name of 5-(4-fluorophenyl)-4-iodo-1H-pyrazole (CID 63735008) is 5-(4-fluorophenyl)-4-iodo-1H-pyrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-iodo-1H-pyrazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-iodo-1H-pyrazole is Fc1ccc(-c2[nH]ncc2I)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-iodo-1H-pyrazole?
The InChIKey is MMSNGCCCOOSTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FIN2/c10-7-3-1-6(2-4-7)9-8(11)5-12-13-9/h1-5H,(H,12,13).
What are the key properties of 5-(4-fluorophenyl)-4-iodo-1H-pyrazole?
5-(4-fluorophenyl)-4-iodo-1H-pyrazole has a molecular weight of 288.06 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-iodo-1H-pyrazole is sourced from PubChem (CID 63735008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).