iridium;1-phenylpyrazole

C9H7IrN2- — CID 23526308

IUPACiridium;1-phenylpyrazole
SMILES[Ir].[c-]1ccccc1-n1cccn1
InChIInChI=1S/C9H7N2.Ir/c1-2-5-9(6-3-1)11-8-4-7-10-11;/h1-5,7-8H;/q-1;
InChIKeyRFVSSJYVBSQEKC-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.67
Rot. Bonds1

About iridium;1-phenylpyrazole

iridium;1-phenylpyrazole (PubChem CID 23526308) has the molecular formula C9H7IrN2- and a molecular weight of 335.39 g/mol. Its IUPAC name is iridium;1-phenylpyrazole.

Molecular Properties

Compound Nameiridium;1-phenylpyrazole
PubChem CID23526308
Molecular FormulaC9H7IrN2-
Molecular Weight335.39 g/mol
Exact Mass336.02
IUPAC Nameiridium;1-phenylpyrazole
SMILES[Ir].[c-]1ccccc1-n1cccn1
InChIInChI=1S/C9H7N2.Ir/c1-2-5-9(6-3-1)11-8-4-7-10-11;/h1-5,7-8H;/q-1;
InChIKeyRFVSSJYVBSQEKC-UHFFFAOYSA-N
XLogP1.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Buta-1,3-dien-2-yl)pyrazole
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CID 21044134
1-(2,4-Difluorobenzene-6-id-1-yl)pyrazole
CID 59360766
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]pyrazole
CID 153554155
Magnesium;1-phenylpyrazole;bromide
CID 13203472
Dichloropalladium;1-ethylpyrazole
CID 18736781
1-(3,4-Difluorobenzene-6-id-1-yl)pyrazole;yttrium;ZINC
CID 20747767
1H-pyrazolo[1,2-a]pyrazol-4-ium, 2,3-dihydro-, bromide
CID 21043320
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(3+);methanone;1-phenylpyrazole;cyanide
CID 23526309

Frequently Asked Questions

What is the IUPAC name of iridium;1-phenylpyrazole?
The IUPAC name of iridium;1-phenylpyrazole (CID 23526308) is iridium;1-phenylpyrazole.
What is the SMILES notation for iridium;1-phenylpyrazole?
The canonical SMILES for iridium;1-phenylpyrazole is [Ir].[c-]1ccccc1-n1cccn1.
What is the InChIKey of iridium;1-phenylpyrazole?
The InChIKey is RFVSSJYVBSQEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N2.Ir/c1-2-5-9(6-3-1)11-8-4-7-10-11;/h1-5,7-8H;/q-1;.
What are the key properties of iridium;1-phenylpyrazole?
iridium;1-phenylpyrazole has a molecular weight of 335.39 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-phenylpyrazole is sourced from PubChem (CID 23526308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).