iridium;1-methyl-3-phenyl-4H-pyrazol-1-ium

C10H10IrN2 — CID 140553423

IUPACiridium;1-methyl-3-phenyl-4H-pyrazol-1-ium
SMILESC[N+]1=CCC(c2[c-]cccc2)=N1.[Ir]
InChIInChI=1S/C10H10N2.Ir/c1-12-8-7-10(11-12)9-5-3-2-4-6-9;/h2-5,8H,7H2,1H3;
InChIKeyAHWKWWBZBNRXCM-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.31
Rot. Bonds1

About iridium;1-methyl-3-phenyl-4H-pyrazol-1-ium

iridium;1-methyl-3-phenyl-4H-pyrazol-1-ium (PubChem CID 140553423) has the molecular formula C10H10IrN2 and a molecular weight of 350.42 g/mol. Its IUPAC name is iridium;1-methyl-3-phenyl-4H-pyrazol-1-ium.

Molecular Properties

Compound Nameiridium;1-methyl-3-phenyl-4H-pyrazol-1-ium
PubChem CID140553423
Molecular FormulaC10H10IrN2
Molecular Weight350.42 g/mol
Exact Mass351.05
IUPAC Nameiridium;1-methyl-3-phenyl-4H-pyrazol-1-ium
SMILESC[N+]1=CCC(c2[c-]cccc2)=N1.[Ir]
InChIInChI=1S/C10H10N2.Ir/c1-12-8-7-10(11-12)9-5-3-2-4-6-9;/h2-5,8H,7H2,1H3;
InChIKeyAHWKWWBZBNRXCM-UHFFFAOYSA-N
XLogP1.31
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze iridium;1-methyl-3-phenyl-4H-pyrazol-1-ium 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-methyl-3-phenyl-4H-pyrazol-1-ium?
The IUPAC name of iridium;1-methyl-3-phenyl-4H-pyrazol-1-ium (CID 140553423) is iridium;1-methyl-3-phenyl-4H-pyrazol-1-ium.
What is the SMILES notation for iridium;1-methyl-3-phenyl-4H-pyrazol-1-ium?
The canonical SMILES for iridium;1-methyl-3-phenyl-4H-pyrazol-1-ium is C[N+]1=CCC(c2[c-]cccc2)=N1.[Ir].
What is the InChIKey of iridium;1-methyl-3-phenyl-4H-pyrazol-1-ium?
The InChIKey is AHWKWWBZBNRXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.Ir/c1-12-8-7-10(11-12)9-5-3-2-4-6-9;/h2-5,8H,7H2,1H3;.
What are the key properties of iridium;1-methyl-3-phenyl-4H-pyrazol-1-ium?
iridium;1-methyl-3-phenyl-4H-pyrazol-1-ium has a molecular weight of 350.42 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-methyl-3-phenyl-4H-pyrazol-1-ium is sourced from PubChem (CID 140553423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).