iridium;1-phenylpyrazole-3-carbaldehyde

C10H7IrN2O- — CID 155646485

IUPACiridium;1-phenylpyrazole-3-carbaldehyde
SMILESO=Cc1ccn(-c2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C10H7N2O.Ir/c13-8-9-6-7-12(11-9)10-4-2-1-3-5-10;/h1-4,6-8H;/q-1;
InChIKeyWXSJVKKKTHSJAC-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.48
Rot. Bonds2

About iridium;1-phenylpyrazole-3-carbaldehyde

iridium;1-phenylpyrazole-3-carbaldehyde (PubChem CID 155646485) has the molecular formula C10H7IrN2O- and a molecular weight of 363.40 g/mol. Its IUPAC name is iridium;1-phenylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Nameiridium;1-phenylpyrazole-3-carbaldehyde
PubChem CID155646485
Molecular FormulaC10H7IrN2O-
Molecular Weight363.40 g/mol
Exact Mass364.02
IUPAC Nameiridium;1-phenylpyrazole-3-carbaldehyde
SMILESO=Cc1ccn(-c2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C10H7N2O.Ir/c13-8-9-6-7-12(11-9)10-4-2-1-3-5-10;/h1-4,6-8H;/q-1;
InChIKeyWXSJVKKKTHSJAC-UHFFFAOYSA-N
XLogP1.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze iridium;1-phenylpyrazole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of iridium;1-phenylpyrazole-3-carbaldehyde?
The IUPAC name of iridium;1-phenylpyrazole-3-carbaldehyde (CID 155646485) is iridium;1-phenylpyrazole-3-carbaldehyde.
What is the SMILES notation for iridium;1-phenylpyrazole-3-carbaldehyde?
The canonical SMILES for iridium;1-phenylpyrazole-3-carbaldehyde is O=Cc1ccn(-c2[c-]cccc2)n1.[Ir].
What is the InChIKey of iridium;1-phenylpyrazole-3-carbaldehyde?
The InChIKey is WXSJVKKKTHSJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N2O.Ir/c13-8-9-6-7-12(11-9)10-4-2-1-3-5-10;/h1-4,6-8H;/q-1;.
What are the key properties of iridium;1-phenylpyrazole-3-carbaldehyde?
iridium;1-phenylpyrazole-3-carbaldehyde has a molecular weight of 363.40 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-phenylpyrazole-3-carbaldehyde is sourced from PubChem (CID 155646485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).