iridium;1-(1-phenylethenyl)pyrazole

C11H9IrN2- — CID 58991680

IUPACiridium;1-(1-phenylethenyl)pyrazole
SMILESC=C(c1[c-]cccc1)n1cccn1.[Ir]
InChIInChI=1S/C11H9N2.Ir/c1-10(13-9-5-8-12-13)11-6-3-2-4-7-11;/h2-6,8-9H,1H2;/q-1;
InChIKeyPCJGIYWEENINRE-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.20
Rot. Bonds2

About iridium;1-(1-phenylethenyl)pyrazole

iridium;1-(1-phenylethenyl)pyrazole (PubChem CID 58991680) has the molecular formula C11H9IrN2- and a molecular weight of 361.42 g/mol. Its IUPAC name is iridium;1-(1-phenylethenyl)pyrazole.

Molecular Properties

Compound Nameiridium;1-(1-phenylethenyl)pyrazole
PubChem CID58991680
Molecular FormulaC11H9IrN2-
Molecular Weight361.42 g/mol
Exact Mass362.04
IUPAC Nameiridium;1-(1-phenylethenyl)pyrazole
SMILESC=C(c1[c-]cccc1)n1cccn1.[Ir]
InChIInChI=1S/C11H9N2.Ir/c1-10(13-9-5-8-12-13)11-6-3-2-4-7-11;/h2-6,8-9H,1H2;/q-1;
InChIKeyPCJGIYWEENINRE-UHFFFAOYSA-N
XLogP2.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.20
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

Iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
CID 21044134
Platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
CID 21044135
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
1-(4-Fluorocyclohexa-1,3-dien-1-yl)pyrazole
CID 163944401
6H-pyrazolo[1,2-a]indazol-4-ium
CID 57286573
1-(2-Ethylbenzene-6-id-1-yl)pyrazole;platinum
CID 57729485
Iridium;1-(4-propan-2-ylbenzene-6-id-1-yl)pyrazole
CID 57729502
1-(2-Ethylbenzene-6-id-1-yl)pyrazole;iridium
CID 57729525
Iridium;2-pyrazol-1-ylbenzene-3-ide-1-carbonitrile
CID 57729545
Iridium;1-(3-propan-2-ylbenzene-6-id-1-yl)pyrazole
CID 57729572

Frequently Asked Questions

What is the IUPAC name of iridium;1-(1-phenylethenyl)pyrazole?
The IUPAC name of iridium;1-(1-phenylethenyl)pyrazole (CID 58991680) is iridium;1-(1-phenylethenyl)pyrazole.
What is the SMILES notation for iridium;1-(1-phenylethenyl)pyrazole?
The canonical SMILES for iridium;1-(1-phenylethenyl)pyrazole is C=C(c1[c-]cccc1)n1cccn1.[Ir].
What is the InChIKey of iridium;1-(1-phenylethenyl)pyrazole?
The InChIKey is PCJGIYWEENINRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N2.Ir/c1-10(13-9-5-8-12-13)11-6-3-2-4-7-11;/h2-6,8-9H,1H2;/q-1;.
What are the key properties of iridium;1-(1-phenylethenyl)pyrazole?
iridium;1-(1-phenylethenyl)pyrazole has a molecular weight of 361.42 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-(1-phenylethenyl)pyrazole is sourced from PubChem (CID 58991680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).