5-(2,4-dimethylphenyl)-4-iodo-1H-pyrazole

C11H11IN2 — CID 63734143

IUPAC5-(2,4-dimethylphenyl)-4-iodo-1H-pyrazole
SMILESCc1ccc(-c2[nH]ncc2I)c(C)c1
InChIInChI=1S/C11H11IN2/c1-7-3-4-9(8(2)5-7)11-10(12)6-13-14-11/h3-6H,1-2H3,(H,13,14)
InChIKeyOXXMUHDJMXIFJY-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.30
Rot. Bonds1

About 5-(2,4-dimethylphenyl)-4-iodo-1H-pyrazole

5-(2,4-dimethylphenyl)-4-iodo-1H-pyrazole (PubChem CID 63734143) has the molecular formula C11H11IN2 and a molecular weight of 298.13 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-4-iodo-1H-pyrazole.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-4-iodo-1H-pyrazole
PubChem CID63734143
Molecular FormulaC11H11IN2
Molecular Weight298.13 g/mol
Exact Mass298.00
IUPAC Name5-(2,4-dimethylphenyl)-4-iodo-1H-pyrazole
SMILESCc1ccc(-c2[nH]ncc2I)c(C)c1
InChIInChI=1S/C11H11IN2/c1-7-3-4-9(8(2)5-7)11-10(12)6-13-14-11/h3-6H,1-2H3,(H,13,14)
InChIKeyOXXMUHDJMXIFJY-UHFFFAOYSA-N
XLogP3.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.30
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-(2,4-dimethylphenyl)-4-iodo-1H-pyrazole?
The IUPAC name of 5-(2,4-dimethylphenyl)-4-iodo-1H-pyrazole (CID 63734143) is 5-(2,4-dimethylphenyl)-4-iodo-1H-pyrazole.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-4-iodo-1H-pyrazole?
The canonical SMILES for 5-(2,4-dimethylphenyl)-4-iodo-1H-pyrazole is Cc1ccc(-c2[nH]ncc2I)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-4-iodo-1H-pyrazole?
The InChIKey is OXXMUHDJMXIFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2/c1-7-3-4-9(8(2)5-7)11-10(12)6-13-14-11/h3-6H,1-2H3,(H,13,14).
What are the key properties of 5-(2,4-dimethylphenyl)-4-iodo-1H-pyrazole?
5-(2,4-dimethylphenyl)-4-iodo-1H-pyrazole has a molecular weight of 298.13 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-4-iodo-1H-pyrazole is sourced from PubChem (CID 63734143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).