1-[1-(4-bromo-2-fluorophenyl)ethyl]-4-iodopyrazol-5-amine

C11H10BrFIN3 — CID 82963587

IUPAC1-[1-(4-bromo-2-fluorophenyl)ethyl]-4-iodopyrazol-5-amine
SMILESCC(c1ccc(Br)cc1F)n1ncc(I)c1N
InChIInChI=1S/C11H10BrFIN3/c1-6(17-11(15)10(14)5-16-17)8-3-2-7(12)4-9(8)13/h2-6H,15H2,1H3
InChIKeyPFGPDQOAEYMNIS-UHFFFAOYSA-N
MW410.03 g/mol
LogP3.58
Rot. Bonds2

About 1-[1-(4-bromo-2-fluorophenyl)ethyl]-4-iodopyrazol-5-amine

1-[1-(4-bromo-2-fluorophenyl)ethyl]-4-iodopyrazol-5-amine (PubChem CID 82963587) has the molecular formula C11H10BrFIN3 and a molecular weight of 410.03 g/mol. Its IUPAC name is 1-[1-(4-bromo-2-fluorophenyl)ethyl]-4-iodopyrazol-5-amine.

Molecular Properties

Compound Name1-[1-(4-bromo-2-fluorophenyl)ethyl]-4-iodopyrazol-5-amine
PubChem CID82963587
Molecular FormulaC11H10BrFIN3
Molecular Weight410.03 g/mol
Exact Mass408.91
IUPAC Name1-[1-(4-bromo-2-fluorophenyl)ethyl]-4-iodopyrazol-5-amine
SMILESCC(c1ccc(Br)cc1F)n1ncc(I)c1N
InChIInChI=1S/C11H10BrFIN3/c1-6(17-11(15)10(14)5-16-17)8-3-2-7(12)4-9(8)13/h2-6H,15H2,1H3
InChIKeyPFGPDQOAEYMNIS-UHFFFAOYSA-N
XLogP3.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.03
LogP ≤ 53.58
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

4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
2-[1-(4-bromo-2-fluorophenyl)ethyl]isoindole
CID 141038403
N'-[1-(4-bromo-2-fluorophenyl)ethyl]propane-1,3-diamine
CID 82963535
(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
CID 129371245
3-(4-bromo-2-fluorophenyl)butan-1-amine
CID 117367048
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 82963086
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 82961496
1-[1-(4-bromo-2-fluorophenyl)ethyl]azetidine-3-carboxylic acid
CID 82973600
2-[1-(4-bromo-2-fluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 82959480
4-bromo-1-(1-chloropropan-2-yl)-2-fluorobenzene
CID 82973231
2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol
CID 115347554
1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine
CID 82970842

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromo-2-fluorophenyl)ethyl]-4-iodopyrazol-5-amine?
The IUPAC name of 1-[1-(4-bromo-2-fluorophenyl)ethyl]-4-iodopyrazol-5-amine (CID 82963587) is 1-[1-(4-bromo-2-fluorophenyl)ethyl]-4-iodopyrazol-5-amine.
What is the SMILES notation for 1-[1-(4-bromo-2-fluorophenyl)ethyl]-4-iodopyrazol-5-amine?
The canonical SMILES for 1-[1-(4-bromo-2-fluorophenyl)ethyl]-4-iodopyrazol-5-amine is CC(c1ccc(Br)cc1F)n1ncc(I)c1N.
What is the InChIKey of 1-[1-(4-bromo-2-fluorophenyl)ethyl]-4-iodopyrazol-5-amine?
The InChIKey is PFGPDQOAEYMNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFIN3/c1-6(17-11(15)10(14)5-16-17)8-3-2-7(12)4-9(8)13/h2-6H,15H2,1H3.
What are the key properties of 1-[1-(4-bromo-2-fluorophenyl)ethyl]-4-iodopyrazol-5-amine?
1-[1-(4-bromo-2-fluorophenyl)ethyl]-4-iodopyrazol-5-amine has a molecular weight of 410.03 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromo-2-fluorophenyl)ethyl]-4-iodopyrazol-5-amine is sourced from PubChem (CID 82963587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).