1-(4-fluoro-2-iodophenyl)pyrazol-3-amine

C9H7FIN3 — CID 102942946

IUPAC1-(4-fluoro-2-iodophenyl)pyrazol-3-amine
SMILESNc1ccn(-c2ccc(F)cc2I)n1
InChIInChI=1S/C9H7FIN3/c10-6-1-2-8(7(11)5-6)14-4-3-9(12)13-14/h1-5H,(H2,12,13)
InChIKeyJEAQXWWZDXFFAK-UHFFFAOYSA-N
MW303.08 g/mol
LogP2.20
Rot. Bonds1

About 1-(4-fluoro-2-iodophenyl)pyrazol-3-amine

1-(4-fluoro-2-iodophenyl)pyrazol-3-amine (PubChem CID 102942946) has the molecular formula C9H7FIN3 and a molecular weight of 303.08 g/mol. Its IUPAC name is 1-(4-fluoro-2-iodophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-iodophenyl)pyrazol-3-amine
PubChem CID102942946
Molecular FormulaC9H7FIN3
Molecular Weight303.08 g/mol
Exact Mass302.97
IUPAC Name1-(4-fluoro-2-iodophenyl)pyrazol-3-amine
SMILESNc1ccn(-c2ccc(F)cc2I)n1
InChIInChI=1S/C9H7FIN3/c10-6-1-2-8(7(11)5-6)14-4-3-9(12)13-14/h1-5H,(H2,12,13)
InChIKeyJEAQXWWZDXFFAK-UHFFFAOYSA-N
XLogP2.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.08
LogP ≤ 52.20
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

1-(4-fluoro-2-iodophenyl)tetrazole
CID 79766325
1-(2-chloro-4-iodophenyl)pyrazol-3-amine
CID 107608588
N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]ethanamine
CID 79771902
1-(4-fluoro-2-iodophenyl)imidazol-2-amine
CID 106576379
N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 79771903
N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 79771719
1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 102942871
1-(5-fluoro-2-pyridinyl)pyrazol-3-amine
CID 61311412
1-(4-fluoro-2-iodophenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 79771802
1-(3-chloro-5-fluorophenyl)pyrazol-3-amine
CID 107371299
4-(chloromethyl)-1-(4-fluoro-2-iodophenyl)triazole
CID 79771317
1-(2,5-dimethylphenyl)pyrazol-3-amine
CID 62677926

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-iodophenyl)pyrazol-3-amine?
The IUPAC name of 1-(4-fluoro-2-iodophenyl)pyrazol-3-amine (CID 102942946) is 1-(4-fluoro-2-iodophenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(4-fluoro-2-iodophenyl)pyrazol-3-amine?
The canonical SMILES for 1-(4-fluoro-2-iodophenyl)pyrazol-3-amine is Nc1ccn(-c2ccc(F)cc2I)n1.
What is the InChIKey of 1-(4-fluoro-2-iodophenyl)pyrazol-3-amine?
The InChIKey is JEAQXWWZDXFFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FIN3/c10-6-1-2-8(7(11)5-6)14-4-3-9(12)13-14/h1-5H,(H2,12,13).
What are the key properties of 1-(4-fluoro-2-iodophenyl)pyrazol-3-amine?
1-(4-fluoro-2-iodophenyl)pyrazol-3-amine has a molecular weight of 303.08 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-iodophenyl)pyrazol-3-amine is sourced from PubChem (CID 102942946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).