1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;methane;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-oxadiazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide

C169H273F4N21O17S2 — CID 162182279

About 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;methane;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-oxadiazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide

1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;methane;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-oxadiazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 162182279) has the molecular formula C169H273F4N21O17S2 and a molecular weight of 3011.30 g/mol. Its IUPAC name is 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;methane;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-oxadiazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

• Compound Name: 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;methane;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-oxadiazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
• PubChem CID: 162182279
• Molecular Formula: C169H273F4N21O17S2
• Molecular Weight: 3011.30 g/mol
• Exact Mass: 3009.05
• IUPAC Name: 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;methane;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-oxadiazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C#Cc1cccc(C)c1OC.COCCNC(=O)c1cccc(C)c1OC.COc1c(C)cccc1-c1ccc(C)nn1.COc1c(C)cccc1-c1ccn(CC(C)(C)O)n1.COc1c(C)cccc1-c1cn[nH]c1.COc1c(C)cccc1-c1cnc(C)s1.COc1c(C)cccc1-c1cnn(CCF)c1.COc1c(C)cccc1-c1ncnn1C.COc1c(C)cccc1-c1nnc(C)o1.COc1c(C)cccc1-c1nnnn1C.COc1c(C)cccc1-c1sc(C)nc1C.COc1c(C)cccc1C(=O)NCC(F)(F)F
• InChI: InChI=1S/C15H20N2O2.C13H15FN2O.C13H14N2O.C13H15NOS.C12H17NO3.C12H13NOS.C11H12F3NO2.C11H13N3O.C11H12N2O2.C11H12N2O.C10H12N4O.C10H10O.27CH4/c1-11-6-5-7-12(14(11)19-4)13-8-9-17(16-13)10-15(2,3)18;1-10-4-3-5-12(13(10)17-2)11-8-15-16(9-11)7-6-14;1-9-5-4-6-11(13(9)16-3)12-8-7-10(2)14-15-12;1-8-6-5-7-11(12(8)15-4)13-9(2)14-10(3)16-13;1-9-5-4-6-10(11(9)16-3)12(14)13-7-8-15-2;1-8-5-4-6-10(12(8)14-3)11-7-13-9(2)15-11;1-7-4-3-5-8(9(7)17-2)10(16)15-6-11(12,13)14;1-8-5-4-6-9(10(8)15-3)11-12-7-13-14(11)2;1-7-5-4-6-9(10(7)14-3)11-13-12-8(2)15-11;1-8-4-3-5-10(11(8)14-2)9-6-12-13-7-9;1-7-5-4-6-8(9(7)15-3)10-11-12-13-14(10)2;1-4-9-7-5-6-8(2)10(9)11-3;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-9,18H,10H2,1-4H3;3-5,8-9H,6-7H2,1-2H3;4-8H,1-3H3;5-7H,1-4H3;4-6H,7-8H2,1-3H3,(H,13,14);4-7H,1-3H3;3-5H,6H2,1-2H3,(H,15,16);4-7H,1-3H3;4-6H,1-3H3;3-7H,1-2H3,(H,12,13);4-6H,1-3H3;1,5-7H,2-3H3;27*1H4
• InChIKey: ZPEONYJGHVHHHT-UHFFFAOYSA-N
• XLogP: 46.01
• TPSA: 427.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 31
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3011.30
LogP ≤ 5	46.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;methane;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-oxadiazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide?

The IUPAC name of 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;methane;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-oxadiazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 162182279) is 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;methane;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-oxadiazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide.

What is the SMILES notation for 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;methane;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-oxadiazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide?

The canonical SMILES for 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;methane;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-oxadiazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C#Cc1cccc(C)c1OC.COCCNC(=O)c1cccc(C)c1OC.COc1c(C)cccc1-c1ccc(C)nn1.COc1c(C)cccc1-c1ccn(CC(C)(C)O)n1.COc1c(C)cccc1-c1cn[nH]c1.COc1c(C)cccc1-c1cnc(C)s1.COc1c(C)cccc1-c1cnn(CCF)c1.COc1c(C)cccc1-c1ncnn1C.COc1c(C)cccc1-c1nnc(C)o1.COc1c(C)cccc1-c1nnnn1C.COc1c(C)cccc1-c1sc(C)nc1C.COc1c(C)cccc1C(=O)NCC(F)(F)F.

What is the InChIKey of 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;methane;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-oxadiazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide?

The InChIKey is ZPEONYJGHVHHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.C13H15FN2O.C13H14N2O.C13H15NOS.C12H17NO3.C12H13NOS.C11H12F3NO2.C11H13N3O.C11H12N2O2.C11H12N2O.C10H12N4O.C10H10O.27CH4/c1-11-6-5-7-12(14(11)19-4)13-8-9-17(16-13)10-15(2,3)18;1-10-4-3-5-12(13(10)17-2)11-8-15-16(9-11)7-6-14;1-9-5-4-6-11(13(9)16-3)12-8-7-10(2)14-15-12;1-8-6-5-7-11(12(8)15-4)13-9(2)14-10(3)16-13;1-9-5-4-6-10(11(9)16-3)12(14)13-7-8-15-2;1-8-5-4-6-10(12(8)14-3)11-7-13-9(2)15-11;1-7-4-3-5-8(9(7)17-2)10(16)15-6-11(12,13)14;1-8-5-4-6-9(10(8)15-3)11-12-7-13-14(11)2;1-7-5-4-6-9(10(7)14-3)11-13-12-8(2)15-11;1-8-4-3-5-10(11(8)14-2)9-6-12-13-7-9;1-7-5-4-6-8(9(7)15-3)10-11-12-13-14(10)2;1-4-9-7-5-6-8(2)10(9)11-3;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-9,18H,10H2,1-4H3;3-5,8-9H,6-7H2,1-2H3;4-8H,1-3H3;5-7H,1-4H3;4-6H,7-8H2,1-3H3,(H,13,14);4-7H,1-3H3;3-5H,6H2,1-2H3,(H,15,16);4-7H,1-3H3;4-6H,1-3H3;3-7H,1-2H3,(H,12,13);4-6H,1-3H3;1,5-7H,2-3H3;27*1H4.

What are the key properties of 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;methane;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-oxadiazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide?

1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;methane;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-oxadiazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 3011.30 g/mol, XLogP of 46.01, 31 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;methane;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-oxadiazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 162182279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).