5-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole;tris(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);bis(2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine);3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-5-ethyl-1-methylpyrazole;3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole;tris(iridium(3+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C123H111F9Ir3N23O6 — CID 157054079

IUPAC5-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole;tris(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);bis(2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine);3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-5-ethyl-1-methylpyrazole;3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole;tris(iridium(3+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCCOc1cc(F)c[c-]c1-c1cc(CC)n(C)n1.CCOc1cc(F)c[c-]c1-c1cc(Cc2ccccc2)n(C)n1.CCOc1cc(F)c[c-]c1-c1ccn(CC)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir+3].[Ir+3].[Ir+3].c1ccc(-c2cnn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1
InChIInChI=1S/C19H18FN2O.3C18H16FN2O.C14H16FN2O.C13H14FN2O.C9H5F3N3.2C7H5N4.3Ir/c1-3-23-19-12-15(20)9-10-17(19)18-13-16(22(2)21-18)11-14-7-5-4-6-8-14;3*1-2-22-18-12-15(19)8-9-16(18)17-10-11-21(20-17)13-14-6-4-3-5-7-14;1-4-11-9-13(16-17(11)3)12-7-6-10(15)8-14(12)18-5-2;1-3-16-8-7-12(15-16)11-6-5-10(14)9-13(11)17-4-2;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-2-4-8-6(3-1)7-5-9-11-10-7;;;/h4-9,12-13H,3,11H2,1-2H3;3*3-8,10-12H,2,13H2,1H3;6,8-9H,4-5H2,1-3H3;5,7-9H,3-4H2,1-2H3;1-5H;2*1-5H;;;/q9*-1;3*+3
InChIKeySSDFRSYSJZAISS-UHFFFAOYSA-N
MW2755.03 g/mol
LogP24.82
Rot. Bonds31

About 5-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole;tris(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);bis(2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine);3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-5-ethyl-1-methylpyrazole;3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole;tris(iridium(3+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

5-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole;tris(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);bis(2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine);3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-5-ethyl-1-methylpyrazole;3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole;tris(iridium(3+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 157054079) has the molecular formula C123H111F9Ir3N23O6 and a molecular weight of 2755.03 g/mol. Its IUPAC name is 5-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole;tris(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);bis(2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine);3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-5-ethyl-1-methylpyrazole;3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole;tris(iridium(3+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Name5-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole;tris(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);bis(2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine);3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-5-ethyl-1-methylpyrazole;3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole;tris(iridium(3+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID157054079
Molecular FormulaC123H111F9Ir3N23O6
Molecular Weight2755.03 g/mol
Exact Mass2755.78
IUPAC Name5-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole;tris(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);bis(2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine);3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-5-ethyl-1-methylpyrazole;3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole;tris(iridium(3+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCCOc1cc(F)c[c-]c1-c1cc(CC)n(C)n1.CCOc1cc(F)c[c-]c1-c1cc(Cc2ccccc2)n(C)n1.CCOc1cc(F)c[c-]c1-c1ccn(CC)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir+3].[Ir+3].[Ir+3].c1ccc(-c2cnn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1
InChIInChI=1S/C19H18FN2O.3C18H16FN2O.C14H16FN2O.C13H14FN2O.C9H5F3N3.2C7H5N4.3Ir/c1-3-23-19-12-15(20)9-10-17(19)18-13-16(22(2)21-18)11-14-7-5-4-6-8-14;3*1-2-22-18-12-15(19)8-9-16(18)17-10-11-21(20-17)13-14-6-4-3-5-7-14;1-4-11-9-13(16-17(11)3)12-7-6-10(15)8-14(12)18-5-2;1-3-16-8-7-12(15-16)11-6-5-10(14)9-13(11)17-4-2;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-2-4-8-6(3-1)7-5-9-11-10-7;;;/h4-9,12-13H,3,11H2,1-2H3;3*3-8,10-12H,2,13H2,1H3;6,8-9H,4-5H2,1-3H3;5,7-9H,3-4H2,1-2H3;1-5H;2*1-5H;;;/q9*-1;3*+3
InChIKeySSDFRSYSJZAISS-UHFFFAOYSA-N
XLogP24.82
TPSA307.72 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds31
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002755.03
LogP ≤ 524.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 5-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole;tris(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);bis(2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine);3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-5-ethyl-1-methylpyrazole;3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole;tris(iridium(3+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine 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

bis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738556
Bis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);iridium(3+);5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide
CID 58898662
5-Tert-butyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58898670
1-Benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58898680
Bis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;iridium(3+)
CID 58898682
3-(2-Ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58898693
Bis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);iridium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58898703
3-(2-Ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58898708
Bis(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);iridium(3+);2-[1-(trifluoromethyl)-2-aza-1-azonia-3-azanidacyclopenta-1,4-dien-4-yl]pyridine
CID 59359565
Bis(3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-phenylpyrazole);iridium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 59359572
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium(3+);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729586
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium(3+);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729592

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole;tris(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);bis(2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine);3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-5-ethyl-1-methylpyrazole;3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole;tris(iridium(3+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of 5-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole;tris(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);bis(2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine);3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-5-ethyl-1-methylpyrazole;3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole;tris(iridium(3+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 157054079) is 5-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole;tris(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);bis(2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine);3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-5-ethyl-1-methylpyrazole;3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole;tris(iridium(3+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for 5-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole;tris(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);bis(2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine);3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-5-ethyl-1-methylpyrazole;3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole;tris(iridium(3+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for 5-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole;tris(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);bis(2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine);3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-5-ethyl-1-methylpyrazole;3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole;tris(iridium(3+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CCOc1cc(F)c[c-]c1-c1cc(CC)n(C)n1.CCOc1cc(F)c[c-]c1-c1cc(Cc2ccccc2)n(C)n1.CCOc1cc(F)c[c-]c1-c1ccn(CC)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.CCOc1cc(F)c[c-]c1-c1ccn(Cc2ccccc2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir+3].[Ir+3].[Ir+3].c1ccc(-c2cnn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1.
What is the InChIKey of 5-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole;tris(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);bis(2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine);3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-5-ethyl-1-methylpyrazole;3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole;tris(iridium(3+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is SSDFRSYSJZAISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN2O.3C18H16FN2O.C14H16FN2O.C13H14FN2O.C9H5F3N3.2C7H5N4.3Ir/c1-3-23-19-12-15(20)9-10-17(19)18-13-16(22(2)21-18)11-14-7-5-4-6-8-14;3*1-2-22-18-12-15(19)8-9-16(18)17-10-11-21(20-17)13-14-6-4-3-5-7-14;1-4-11-9-13(16-17(11)3)12-7-6-10(15)8-14(12)18-5-2;1-3-16-8-7-12(15-16)11-6-5-10(14)9-13(11)17-4-2;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-2-4-8-6(3-1)7-5-9-11-10-7;;;/h4-9,12-13H,3,11H2,1-2H3;3*3-8,10-12H,2,13H2,1H3;6,8-9H,4-5H2,1-3H3;5,7-9H,3-4H2,1-2H3;1-5H;2*1-5H;;;/q9*-1;3*+3.
What are the key properties of 5-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole;tris(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);bis(2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine);3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-5-ethyl-1-methylpyrazole;3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole;tris(iridium(3+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
5-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole;tris(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);bis(2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine);3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-5-ethyl-1-methylpyrazole;3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole;tris(iridium(3+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 2755.03 g/mol, XLogP of 24.82, 31 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole;tris(1-benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole);bis(2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine);3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-5-ethyl-1-methylpyrazole;3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole;tris(iridium(3+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 157054079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).