4-(3-iodophenyl)-1-(2-phenylethyl)pyrazole

C17H15IN2 — CID 79787501

IUPAC4-(3-iodophenyl)-1-(2-phenylethyl)pyrazole
SMILESIc1cccc(-c2cnn(CCc3ccccc3)c2)c1
InChIInChI=1S/C17H15IN2/c18-17-8-4-7-15(11-17)16-12-19-20(13-16)10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2
InChIKeyAGIOAYAIYBLZDF-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.40
Rot. Bonds4

About 4-(3-iodophenyl)-1-(2-phenylethyl)pyrazole

4-(3-iodophenyl)-1-(2-phenylethyl)pyrazole (PubChem CID 79787501) has the molecular formula C17H15IN2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 4-(3-iodophenyl)-1-(2-phenylethyl)pyrazole.

Molecular Properties

Compound Name4-(3-iodophenyl)-1-(2-phenylethyl)pyrazole
PubChem CID79787501
Molecular FormulaC17H15IN2
Molecular Weight374.23 g/mol
Exact Mass374.03
IUPAC Name4-(3-iodophenyl)-1-(2-phenylethyl)pyrazole
SMILESIc1cccc(-c2cnn(CCc3ccccc3)c2)c1
InChIInChI=1S/C17H15IN2/c18-17-8-4-7-15(11-17)16-12-19-20(13-16)10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2
InChIKeyAGIOAYAIYBLZDF-UHFFFAOYSA-N
XLogP4.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-iodophenyl)-1-(2-phenylethyl)pyrazole?
The IUPAC name of 4-(3-iodophenyl)-1-(2-phenylethyl)pyrazole (CID 79787501) is 4-(3-iodophenyl)-1-(2-phenylethyl)pyrazole.
What is the SMILES notation for 4-(3-iodophenyl)-1-(2-phenylethyl)pyrazole?
The canonical SMILES for 4-(3-iodophenyl)-1-(2-phenylethyl)pyrazole is Ic1cccc(-c2cnn(CCc3ccccc3)c2)c1.
What is the InChIKey of 4-(3-iodophenyl)-1-(2-phenylethyl)pyrazole?
The InChIKey is AGIOAYAIYBLZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2/c18-17-8-4-7-15(11-17)16-12-19-20(13-16)10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2.
What are the key properties of 4-(3-iodophenyl)-1-(2-phenylethyl)pyrazole?
4-(3-iodophenyl)-1-(2-phenylethyl)pyrazole has a molecular weight of 374.23 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-iodophenyl)-1-(2-phenylethyl)pyrazole is sourced from PubChem (CID 79787501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).