4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine

C11H12IN3O — CID 63035065

IUPAC4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine
SMILESCOc1ccccc1-n1nc(C)c(I)c1N
InChIInChI=1S/C11H12IN3O/c1-7-10(12)11(13)15(14-7)8-5-3-4-6-9(8)16-2/h3-6H,13H2,1-2H3
InChIKeyWHXWAQHIKRUUMU-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.38
Rot. Bonds2

About 4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine

4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine (PubChem CID 63035065) has the molecular formula C11H12IN3O and a molecular weight of 329.14 g/mol. Its IUPAC name is 4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine
PubChem CID63035065
Molecular FormulaC11H12IN3O
Molecular Weight329.14 g/mol
Exact Mass329.00
IUPAC Name4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine
SMILESCOc1ccccc1-n1nc(C)c(I)c1N
InChIInChI=1S/C11H12IN3O/c1-7-10(12)11(13)15(14-7)8-5-3-4-6-9(8)16-2/h3-6H,13H2,1-2H3
InChIKeyWHXWAQHIKRUUMU-UHFFFAOYSA-N
XLogP2.38
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine?
The IUPAC name of 4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine (CID 63035065) is 4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine.
What is the SMILES notation for 4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine?
The canonical SMILES for 4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine is COc1ccccc1-n1nc(C)c(I)c1N.
What is the InChIKey of 4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine?
The InChIKey is WHXWAQHIKRUUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3O/c1-7-10(12)11(13)15(14-7)8-5-3-4-6-9(8)16-2/h3-6H,13H2,1-2H3.
What are the key properties of 4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine?
4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine has a molecular weight of 329.14 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine is sourced from PubChem (CID 63035065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).