iridium(3+);methanone;1-phenylpyrazole;cyanide

C11H8IrN3O — CID 23526309

IUPACiridium(3+);methanone;1-phenylpyrazole;cyanide
SMILES[C-]#N.[CH-]=O.[Ir+3].[c-]1ccccc1-n1cccn1
InChIInChI=1S/C9H7N2.CN.CHO.Ir/c1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-2;/h1-5,7-8H;;1H;/q3*-1;+3
InChIKeyDAQFBRWFGSPPJB-UHFFFAOYSA-N
MW390.42 g/mol
LogP1.49
Rot. Bonds1

About iridium(3+);methanone;1-phenylpyrazole;cyanide

iridium(3+);methanone;1-phenylpyrazole;cyanide (PubChem CID 23526309) has the molecular formula C11H8IrN3O and a molecular weight of 390.42 g/mol. Its IUPAC name is iridium(3+);methanone;1-phenylpyrazole;cyanide.

Molecular Properties

Compound Nameiridium(3+);methanone;1-phenylpyrazole;cyanide
PubChem CID23526309
Molecular FormulaC11H8IrN3O
Molecular Weight390.42 g/mol
Exact Mass391.03
IUPAC Nameiridium(3+);methanone;1-phenylpyrazole;cyanide
SMILES[C-]#N.[CH-]=O.[Ir+3].[c-]1ccccc1-n1cccn1
InChIInChI=1S/C9H7N2.CN.CHO.Ir/c1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-2;/h1-5,7-8H;;1H;/q3*-1;+3
InChIKeyDAQFBRWFGSPPJB-UHFFFAOYSA-N
XLogP1.49
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-Difluorobenzene-6-id-1-yl)pyrazole;yttrium;ZINC
CID 20747767
1-(2,4-Difluorobenzene-6-id-1-yl)pyrazole;iridium
CID 21044150
1-(2,4-Difluorobenzene-6-id-1-yl)pyrazole;platinum
CID 21044151
1-Phenylpyrazole;platinum
CID 21044154
Iridium;1-phenylpyrazole
CID 23526308
Cobalt;1-phenylpyrazole
CID 23539882
N,N-dimethyl-3-pyrazol-1-ylbenzene-4-id-1-amine;platinum
CID 57729433
N,N-dimethyl-4-pyrazol-1-ylbenzene-5-id-1-amine;platinum
CID 57729490
platinum;1-N,1-N,3-N,3-N-tetramethyl-4-pyrazol-1-ylbenzene-5-ide-1,3-diamine
CID 57729513
Iridium;3-isocyano-1-phenylpyrazole
CID 57729560
N,N-dimethyl-3-pyrazol-1-ylbenzene-4-id-1-amine;iridium
CID 57729562
N,N-dimethyl-2-pyrazol-1-ylbenzene-3-id-1-amine;iridium
CID 57729592

Frequently Asked Questions

What is the IUPAC name of iridium(3+);methanone;1-phenylpyrazole;cyanide?
The IUPAC name of iridium(3+);methanone;1-phenylpyrazole;cyanide (CID 23526309) is iridium(3+);methanone;1-phenylpyrazole;cyanide.
What is the SMILES notation for iridium(3+);methanone;1-phenylpyrazole;cyanide?
The canonical SMILES for iridium(3+);methanone;1-phenylpyrazole;cyanide is [C-]#N.[CH-]=O.[Ir+3].[c-]1ccccc1-n1cccn1.
What is the InChIKey of iridium(3+);methanone;1-phenylpyrazole;cyanide?
The InChIKey is DAQFBRWFGSPPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N2.CN.CHO.Ir/c1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-2;/h1-5,7-8H;;1H;/q3*-1;+3.
What are the key properties of iridium(3+);methanone;1-phenylpyrazole;cyanide?
iridium(3+);methanone;1-phenylpyrazole;cyanide has a molecular weight of 390.42 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);methanone;1-phenylpyrazole;cyanide is sourced from PubChem (CID 23526309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).