iridium;1-(3-methylbenzene-6-id-1-yl)pyrazole

C10H9IrN2- — CID 58162883

IUPACiridium;1-(3-methylbenzene-6-id-1-yl)pyrazole
SMILESCc1cc[c-]c(-n2cccn2)c1.[Ir]
InChIInChI=1S/C10H9N2.Ir/c1-9-4-2-5-10(8-9)12-7-3-6-11-12;/h2-4,6-8H,1H3;/q-1;
InChIKeyASQJIWVJBPKNGZ-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.98
Rot. Bonds1

About iridium;1-(3-methylbenzene-6-id-1-yl)pyrazole

iridium;1-(3-methylbenzene-6-id-1-yl)pyrazole (PubChem CID 58162883) has the molecular formula C10H9IrN2- and a molecular weight of 349.41 g/mol. Its IUPAC name is iridium;1-(3-methylbenzene-6-id-1-yl)pyrazole.

Molecular Properties

Compound Nameiridium;1-(3-methylbenzene-6-id-1-yl)pyrazole
PubChem CID58162883
Molecular FormulaC10H9IrN2-
Molecular Weight349.41 g/mol
Exact Mass350.04
IUPAC Nameiridium;1-(3-methylbenzene-6-id-1-yl)pyrazole
SMILESCc1cc[c-]c(-n2cccn2)c1.[Ir]
InChIInChI=1S/C10H9N2.Ir/c1-9-4-2-5-10(8-9)12-7-3-6-11-12;/h2-4,6-8H,1H3;/q-1;
InChIKeyASQJIWVJBPKNGZ-UHFFFAOYSA-N
XLogP1.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.98
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-[(Z)-[6-(difluoromethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]pyrazole
CID 134963629
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Platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
CID 21044135
Iridium;1-(3-propylbenzene-2-id-1-yl)-4-(trifluoromethyl)pyrazole
CID 58621152
Iridium;1-[[4-(trifluoromethyl)benzene-6-id-1-yl]methyl]pyrazole
CID 59757592
1-[(3E)-5-fluorohexa-3,5-dien-3-yl]pyrazole
CID 154965197
1-(4-Fluorocyclohexa-1,3-dien-1-yl)pyrazole
CID 163944401
1-[(2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dienyl]pyrazole
CID 171090123
1-(Cyclohex-1-en-1-yl)-1H-pyrazole
CID 3815896
1-[(1Z,3E)-octa-1,3-dienyl]pyrazole
CID 135060947
1-[(1E,3E)-3-ethylhexa-1,3-dienyl]pyrazole
CID 135063395
1-[(Z)-dec-5-en-5-yl]pyrazole
CID 135080242

Frequently Asked Questions

What is the IUPAC name of iridium;1-(3-methylbenzene-6-id-1-yl)pyrazole?
The IUPAC name of iridium;1-(3-methylbenzene-6-id-1-yl)pyrazole (CID 58162883) is iridium;1-(3-methylbenzene-6-id-1-yl)pyrazole.
What is the SMILES notation for iridium;1-(3-methylbenzene-6-id-1-yl)pyrazole?
The canonical SMILES for iridium;1-(3-methylbenzene-6-id-1-yl)pyrazole is Cc1cc[c-]c(-n2cccn2)c1.[Ir].
What is the InChIKey of iridium;1-(3-methylbenzene-6-id-1-yl)pyrazole?
The InChIKey is ASQJIWVJBPKNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N2.Ir/c1-9-4-2-5-10(8-9)12-7-3-6-11-12;/h2-4,6-8H,1H3;/q-1;.
What are the key properties of iridium;1-(3-methylbenzene-6-id-1-yl)pyrazole?
iridium;1-(3-methylbenzene-6-id-1-yl)pyrazole has a molecular weight of 349.41 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-(3-methylbenzene-6-id-1-yl)pyrazole is sourced from PubChem (CID 58162883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).