2-(2,6-dimethylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-phenylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-3-phenylpropan-1-one;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-4-ylethanone

C122H118N14O13 — CID 159234906

IUPAC2-(2,6-dimethylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-phenylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-3-phenylpropan-1-one;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-4-ylethanone
SMILESCOc1cc(-c2cnn(C)c2)ccc1C(=O)CCc1ccccc1.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1ccccc1.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1cccnc1.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1ccncc1.COc1ccc(CC(=O)c2ccc(-c3cnn(C)c3)cc2OC)cc1.Cc1cccc(C)c1CC(=O)c1ccc(-c2cnn(C)c2)cc1OCc1ccccc1
InChIInChI=1S/C27H26N2O2.C20H20N2O3.C20H20N2O2.C19H18N2O2.2C18H17N3O2/c1-19-8-7-9-20(2)25(19)15-26(30)24-13-12-22(23-16-28-29(3)17-23)14-27(24)31-18-21-10-5-4-6-11-21;1-22-13-16(12-21-22)15-6-9-18(20(11-15)25-3)19(23)10-14-4-7-17(24-2)8-5-14;1-22-14-17(13-21-22)16-9-10-18(20(12-16)24-2)19(23)11-8-15-6-4-3-5-7-15;1-21-13-16(12-20-21)15-8-9-17(19(11-15)23-2)18(22)10-14-6-4-3-5-7-14;1-21-12-15(11-20-21)14-3-4-16(18(10-14)23-2)17(22)9-13-5-7-19-8-6-13;1-21-12-15(11-20-21)14-5-6-16(18(9-14)23-2)17(22)8-13-4-3-7-19-10-13/h4-14,16-17H,15,18H2,1-3H3;4-9,11-13H,10H2,1-3H3;3-7,9-10,12-14H,8,11H2,1-2H3;3-9,11-13H,10H2,1-2H3;3-8,10-12H,9H2,1-2H3;3-7,9-12H,8H2,1-2H3
InChIKeyKTISQNJASGTOIV-UHFFFAOYSA-N
MW1988.37 g/mol
LogP22.50
Rot. Bonds34

About 2-(2,6-dimethylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-phenylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-3-phenylpropan-1-one;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-4-ylethanone

2-(2,6-dimethylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-phenylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-3-phenylpropan-1-one;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-4-ylethanone (PubChem CID 159234906) has the molecular formula C122H118N14O13 and a molecular weight of 1988.37 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-phenylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-3-phenylpropan-1-one;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-phenylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-3-phenylpropan-1-one;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-4-ylethanone
PubChem CID159234906
Molecular FormulaC122H118N14O13
Molecular Weight1988.37 g/mol
Exact Mass1986.90
IUPAC Name2-(2,6-dimethylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-phenylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-3-phenylpropan-1-one;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-4-ylethanone
SMILESCOc1cc(-c2cnn(C)c2)ccc1C(=O)CCc1ccccc1.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1ccccc1.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1cccnc1.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1ccncc1.COc1ccc(CC(=O)c2ccc(-c3cnn(C)c3)cc2OC)cc1.Cc1cccc(C)c1CC(=O)c1ccc(-c2cnn(C)c2)cc1OCc1ccccc1
InChIInChI=1S/C27H26N2O2.C20H20N2O3.C20H20N2O2.C19H18N2O2.2C18H17N3O2/c1-19-8-7-9-20(2)25(19)15-26(30)24-13-12-22(23-16-28-29(3)17-23)14-27(24)31-18-21-10-5-4-6-11-21;1-22-13-16(12-21-22)15-6-9-18(20(11-15)25-3)19(23)10-14-4-7-17(24-2)8-5-14;1-22-14-17(13-21-22)16-9-10-18(20(12-16)24-2)19(23)11-8-15-6-4-3-5-7-15;1-21-13-16(12-20-21)15-8-9-17(19(11-15)23-2)18(22)10-14-6-4-3-5-7-14;1-21-12-15(11-20-21)14-3-4-16(18(10-14)23-2)17(22)9-13-5-7-19-8-6-13;1-21-12-15(11-20-21)14-5-6-16(18(9-14)23-2)17(22)8-13-4-3-7-19-10-13/h4-14,16-17H,15,18H2,1-3H3;4-9,11-13H,10H2,1-3H3;3-7,9-10,12-14H,8,11H2,1-2H3;3-9,11-13H,10H2,1-2H3;3-8,10-12H,9H2,1-2H3;3-7,9-12H,8H2,1-2H3
InChIKeyKTISQNJASGTOIV-UHFFFAOYSA-N
XLogP22.50
TPSA299.73 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds34
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001988.37
LogP ≤ 522.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 2-(2,6-dimethylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-phenylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-3-phenylpropan-1-one;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-4-ylethanone with MolForge

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Related Compounds

1-[2-[(4-Fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)phenyl]-2-pyridin-3-ylethanone
CID 148091369
1-[2-[(4-Fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)phenyl]-2-pyridazin-4-ylethanone
CID 148168438
1-[2-[(4-Fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-4-(morpholin-4-ylmethyl)phenyl]-2-pyridin-3-ylethanone
CID 148421288
CID 157066093
CID 157066093
3-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(1-phenoxyethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[1-[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide
CID 159293805
1-[2-[(2,4-Difluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-4-(morpholin-4-ylmethyl)phenyl]-2-pyridin-3-ylethanone
CID 160807344
2-Pyridin-4-yl-5-[2-[[2,4,6-trimethyl-3,5-bis[[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole
CID 155811920
2-[4-[2-[3,5-Bis[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]-3-dibenzofuran-3-ylphenyl]-5-methylpyridine
CID 139429761
Tris[4,5-dibenzyl-2-formyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenyl] phosphate
CID 140316244
N,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide
CID 146940797
5-[2-[3,5-Bis[2-(5-methyl-1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;iridium(3+)
CID 153458066
5-[2-[3,5-Bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)pyridine;iridium(3+)
CID 153458192

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-phenylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-3-phenylpropan-1-one;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-4-ylethanone?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-phenylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-3-phenylpropan-1-one;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-4-ylethanone (CID 159234906) is 2-(2,6-dimethylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-phenylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-3-phenylpropan-1-one;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-phenylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-3-phenylpropan-1-one;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-4-ylethanone?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-phenylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-3-phenylpropan-1-one;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-4-ylethanone is COc1cc(-c2cnn(C)c2)ccc1C(=O)CCc1ccccc1.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1ccccc1.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1cccnc1.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1ccncc1.COc1ccc(CC(=O)c2ccc(-c3cnn(C)c3)cc2OC)cc1.Cc1cccc(C)c1CC(=O)c1ccc(-c2cnn(C)c2)cc1OCc1ccccc1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-phenylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-3-phenylpropan-1-one;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-4-ylethanone?
The InChIKey is KTISQNJASGTOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2.C20H20N2O3.C20H20N2O2.C19H18N2O2.2C18H17N3O2/c1-19-8-7-9-20(2)25(19)15-26(30)24-13-12-22(23-16-28-29(3)17-23)14-27(24)31-18-21-10-5-4-6-11-21;1-22-13-16(12-21-22)15-6-9-18(20(11-15)25-3)19(23)10-14-4-7-17(24-2)8-5-14;1-22-14-17(13-21-22)16-9-10-18(20(12-16)24-2)19(23)11-8-15-6-4-3-5-7-15;1-21-13-16(12-20-21)15-8-9-17(19(11-15)23-2)18(22)10-14-6-4-3-5-7-14;1-21-12-15(11-20-21)14-3-4-16(18(10-14)23-2)17(22)9-13-5-7-19-8-6-13;1-21-12-15(11-20-21)14-5-6-16(18(9-14)23-2)17(22)8-13-4-3-7-19-10-13/h4-14,16-17H,15,18H2,1-3H3;4-9,11-13H,10H2,1-3H3;3-7,9-10,12-14H,8,11H2,1-2H3;3-9,11-13H,10H2,1-2H3;3-8,10-12H,9H2,1-2H3;3-7,9-12H,8H2,1-2H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-phenylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-3-phenylpropan-1-one;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-4-ylethanone?
2-(2,6-dimethylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-phenylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-3-phenylpropan-1-one;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-4-ylethanone has a molecular weight of 1988.37 g/mol, XLogP of 22.50, 34 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-phenylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-3-phenylpropan-1-one;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 159234906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).