3-(2-iodophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine

C15H13IN4 — CID 80524493

IUPAC3-(2-iodophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
SMILESCn1nc(-c2ccccc2I)c(-c2ccncc2)c1N
InChIInChI=1S/C15H13IN4/c1-20-15(17)13(10-6-8-18-9-7-10)14(19-20)11-4-2-3-5-12(11)16/h2-9H,17H2,1H3
InChIKeyCEBQTCCJEMNJSQ-UHFFFAOYSA-N
MW376.20 g/mol
LogP3.34
Rot. Bonds2

About 3-(2-iodophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine

3-(2-iodophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine (PubChem CID 80524493) has the molecular formula C15H13IN4 and a molecular weight of 376.20 g/mol. Its IUPAC name is 3-(2-iodophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-iodophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
PubChem CID80524493
Molecular FormulaC15H13IN4
Molecular Weight376.20 g/mol
Exact Mass376.02
IUPAC Name3-(2-iodophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
SMILESCn1nc(-c2ccccc2I)c(-c2ccncc2)c1N
InChIInChI=1S/C15H13IN4/c1-20-15(17)13(10-6-8-18-9-7-10)14(19-20)11-4-2-3-5-12(11)16/h2-9H,17H2,1H3
InChIKeyCEBQTCCJEMNJSQ-UHFFFAOYSA-N
XLogP3.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 53.34
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 3-(2-iodophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine?
The IUPAC name of 3-(2-iodophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine (CID 80524493) is 3-(2-iodophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine.
What is the SMILES notation for 3-(2-iodophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine?
The canonical SMILES for 3-(2-iodophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine is Cn1nc(-c2ccccc2I)c(-c2ccncc2)c1N.
What is the InChIKey of 3-(2-iodophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine?
The InChIKey is CEBQTCCJEMNJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN4/c1-20-15(17)13(10-6-8-18-9-7-10)14(19-20)11-4-2-3-5-12(11)16/h2-9H,17H2,1H3.
What are the key properties of 3-(2-iodophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine?
3-(2-iodophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine has a molecular weight of 376.20 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine is sourced from PubChem (CID 80524493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).