iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole

C10H6F3IrN2- — CID 21044134

IUPACiridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
SMILESFC(F)(F)c1c[c-]c(-n2cccn2)cc1.[Ir]
InChIInChI=1S/C10H6F3N2.Ir/c11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14-15;/h1-4,6-7H;/q-1;
InChIKeyAZRROCQYFIVFPG-UHFFFAOYSA-N
MW403.38 g/mol
LogP2.69
Rot. Bonds1

About iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole

iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole (PubChem CID 21044134) has the molecular formula C10H6F3IrN2- and a molecular weight of 403.38 g/mol. Its IUPAC name is iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole.

Molecular Properties

Compound Nameiridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
PubChem CID21044134
Molecular FormulaC10H6F3IrN2-
Molecular Weight403.38 g/mol
Exact Mass404.01
IUPAC Nameiridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
SMILESFC(F)(F)c1c[c-]c(-n2cccn2)cc1.[Ir]
InChIInChI=1S/C10H6F3N2.Ir/c11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14-15;/h1-4,6-7H;/q-1;
InChIKeyAZRROCQYFIVFPG-UHFFFAOYSA-N
XLogP2.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole with MolForge

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

Launch Full Analysis

Related Compounds

1-[(Z)-[6-(difluoromethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]pyrazole
CID 134963629
1-[1,1,1,4,4,5,5,5-Octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrazole
CID 15321651
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
1-(2,4-Difluorobenzene-6-id-1-yl)pyrazole
CID 59360766
1-[[5-Fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]methyl]pyrazole;iridium
CID 59757587
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
Iridium;1-(3-isocyanobenzene-6-id-1-yl)-3-(trifluoromethyl)pyrazole
CID 155646377
1-(3-Bromobenzene-6-id-1-yl)-3-(trifluoromethyl)pyrazole;iridium
CID 155646393
1-(3-Iodobenzene-6-id-1-yl)-3-(trifluoromethyl)pyrazole;iridium
CID 155646478
1-(4-Fluorocyclohexa-1,3-dien-1-yl)pyrazole
CID 163944401

Frequently Asked Questions

What is the IUPAC name of iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole?
The IUPAC name of iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole (CID 21044134) is iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole.
What is the SMILES notation for iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole?
The canonical SMILES for iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole is FC(F)(F)c1c[c-]c(-n2cccn2)cc1.[Ir].
What is the InChIKey of iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole?
The InChIKey is AZRROCQYFIVFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N2.Ir/c11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14-15;/h1-4,6-7H;/q-1;.
What are the key properties of iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole?
iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole has a molecular weight of 403.38 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole is sourced from PubChem (CID 21044134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).