1-[(5-fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;iridium

C11H10FIrN2- — CID 58567829

IUPAC1-[(5-fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;iridium
SMILESCc1ccc(F)[c-]c1Cn1cccn1.[Ir]
InChIInChI=1S/C11H10FN2.Ir/c1-9-3-4-11(12)7-10(9)8-14-6-2-5-13-14;/h2-6H,8H2,1H3;/q-1;
InChIKeyOPOWOLOBANEMNN-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.18
Rot. Bonds2

About 1-[(5-fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;iridium

1-[(5-fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;iridium (PubChem CID 58567829) has the molecular formula C11H10FIrN2- and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;iridium.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;iridium
PubChem CID58567829
Molecular FormulaC11H10FIrN2-
Molecular Weight381.43 g/mol
Exact Mass382.05
IUPAC Name1-[(5-fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;iridium
SMILESCc1ccc(F)[c-]c1Cn1cccn1.[Ir]
InChIInChI=1S/C11H10FN2.Ir/c1-9-3-4-11(12)7-10(9)8-14-6-2-5-13-14;/h2-6H,8H2,1H3;/q-1;
InChIKeyOPOWOLOBANEMNN-UHFFFAOYSA-N
XLogP2.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.18
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
Iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
CID 21044134
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-[(4-Fluorocyclohexa-2,4-dien-1-yl)methyl]pyrazole
CID 117681936
1-[(3E)-5-fluorohexa-3,5-dien-3-yl]pyrazole
CID 154965197
1-[(2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dienyl]pyrazole
CID 171090123
1-[(1E,3E)-3-ethylhexa-1,3-dienyl]pyrazole
CID 135063395
1-[(1Z,3E)-3-ethylhexa-1,3-dienyl]pyrazole
CID 135080551
1-[(2,4-Difluorobenzene-6-id-1-yl)methyl]pyrazole
CID 102405545
1-[[4-Fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]methyl]pyrazole
CID 102405548
1-(2-Ethylbenzene-6-id-1-yl)pyrazole;iridium
CID 57729525

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;iridium?
The IUPAC name of 1-[(5-fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;iridium (CID 58567829) is 1-[(5-fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;iridium.
What is the SMILES notation for 1-[(5-fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;iridium?
The canonical SMILES for 1-[(5-fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;iridium is Cc1ccc(F)[c-]c1Cn1cccn1.[Ir].
What is the InChIKey of 1-[(5-fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;iridium?
The InChIKey is OPOWOLOBANEMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN2.Ir/c1-9-3-4-11(12)7-10(9)8-14-6-2-5-13-14;/h2-6H,8H2,1H3;/q-1;.
What are the key properties of 1-[(5-fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;iridium?
1-[(5-fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;iridium has a molecular weight of 381.43 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;iridium is sourced from PubChem (CID 58567829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).