(3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone

C16H11IN2O — CID 107331809

IUPAC(3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone
SMILESO=C(c1cccc(I)c1)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H11IN2O/c17-13-6-4-5-12(11-13)16(20)15-9-10-18-19(15)14-7-2-1-3-8-14/h1-11H
InChIKeyZIBZYPNBZJDERF-UHFFFAOYSA-N
MW374.18 g/mol
LogP3.71
Rot. Bonds3

About (3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone

(3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone (PubChem CID 107331809) has the molecular formula C16H11IN2O and a molecular weight of 374.18 g/mol. Its IUPAC name is (3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone
PubChem CID107331809
Molecular FormulaC16H11IN2O
Molecular Weight374.18 g/mol
Exact Mass373.99
IUPAC Name(3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone
SMILESO=C(c1cccc(I)c1)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H11IN2O/c17-13-6-4-5-12(11-13)16(20)15-9-10-18-19(15)14-7-2-1-3-8-14/h1-11H
InChIKeyZIBZYPNBZJDERF-UHFFFAOYSA-N
XLogP3.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-iodophenyl)-(2-phenylpyrazol-3-yl)methanone?
The IUPAC name of (3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone (CID 107331809) is (3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone is O=C(c1cccc(I)c1)c1ccnn1-c1ccccc1.
What is the InChIKey of (3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone?
The InChIKey is ZIBZYPNBZJDERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11IN2O/c17-13-6-4-5-12(11-13)16(20)15-9-10-18-19(15)14-7-2-1-3-8-14/h1-11H.
What are the key properties of (3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone?
(3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone has a molecular weight of 374.18 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 107331809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).