2-(2,6-dimethylphenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(3-methoxyphenyl)ethanone;3-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-phenoxyphenyl)ethanone

C125H115FN14O14 — CID 159554906

IUPAC2-(2,6-dimethylphenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(3-methoxyphenyl)ethanone;3-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-phenoxyphenyl)ethanone
SMILESCOc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1c(C)cccc1C.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1ccc(C#N)cc1.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1ccc(Oc2ccccc2)cc1.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1cccc(C#N)c1.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1cccc(F)c1.COc1cccc(CC(=O)c2ccc(-c3cnn(C)c3)cc2OC)c1
InChIInChI=1S/C25H22N2O3.C21H22N2O2.2C20H17N3O2.C20H20N2O3.C19H17FN2O2/c1-27-17-20(16-26-27)19-10-13-23(25(15-19)29-2)24(28)14-18-8-11-22(12-9-18)30-21-6-4-3-5-7-21;1-14-6-5-7-15(2)19(14)11-20(24)18-9-8-16(10-21(18)25-4)17-12-22-23(3)13-17;1-23-13-17(12-22-23)16-7-8-18(20(10-16)25-2)19(24)9-14-3-5-15(11-21)6-4-14;1-23-13-17(12-22-23)16-6-7-18(20(10-16)25-2)19(24)9-14-4-3-5-15(8-14)11-21;1-22-13-16(12-21-22)15-7-8-18(20(11-15)25-3)19(23)10-14-5-4-6-17(9-14)24-2;1-22-12-15(11-21-22)14-6-7-17(19(10-14)24-2)18(23)9-13-4-3-5-16(20)8-13/h3-13,15-17H,14H2,1-2H3;5-10,12-13H,11H2,1-4H3;2*3-8,10,12-13H,9H2,1-2H3;4-9,11-13H,10H2,1-3H3;3-8,10-12H,9H2,1-2H3
InChIKeyMFWBCTXTXIWAKE-UHFFFAOYSA-N
MW2056.38 g/mol
LogP23.43
Rot. Bonds33

About 2-(2,6-dimethylphenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(3-methoxyphenyl)ethanone;3-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-phenoxyphenyl)ethanone

2-(2,6-dimethylphenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(3-methoxyphenyl)ethanone;3-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-phenoxyphenyl)ethanone (PubChem CID 159554906) has the molecular formula C125H115FN14O14 and a molecular weight of 2056.38 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(3-methoxyphenyl)ethanone;3-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-phenoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(3-methoxyphenyl)ethanone;3-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-phenoxyphenyl)ethanone
PubChem CID159554906
Molecular FormulaC125H115FN14O14
Molecular Weight2056.38 g/mol
Exact Mass2054.87
IUPAC Name2-(2,6-dimethylphenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(3-methoxyphenyl)ethanone;3-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-phenoxyphenyl)ethanone
SMILESCOc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1c(C)cccc1C.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1ccc(C#N)cc1.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1ccc(Oc2ccccc2)cc1.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1cccc(C#N)c1.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1cccc(F)c1.COc1cccc(CC(=O)c2ccc(-c3cnn(C)c3)cc2OC)c1
InChIInChI=1S/C25H22N2O3.C21H22N2O2.2C20H17N3O2.C20H20N2O3.C19H17FN2O2/c1-27-17-20(16-26-27)19-10-13-23(25(15-19)29-2)24(28)14-18-8-11-22(12-9-18)30-21-6-4-3-5-7-21;1-14-6-5-7-15(2)19(14)11-20(24)18-9-8-16(10-21(18)25-4)17-12-22-23(3)13-17;1-23-13-17(12-22-23)16-7-8-18(20(10-16)25-2)19(24)9-14-3-5-15(11-21)6-4-14;1-23-13-17(12-22-23)16-6-7-18(20(10-16)25-2)19(24)9-14-4-3-5-15(8-14)11-21;1-22-13-16(12-21-22)15-7-8-18(20(11-15)25-3)19(23)10-14-5-4-6-17(9-14)24-2;1-22-12-15(11-21-22)14-6-7-17(19(10-14)24-2)18(23)9-13-4-3-5-16(20)8-13/h3-13,15-17H,14H2,1-2H3;5-10,12-13H,11H2,1-4H3;2*3-8,10,12-13H,9H2,1-2H3;4-9,11-13H,10H2,1-3H3;3-8,10-12H,9H2,1-2H3
InChIKeyMFWBCTXTXIWAKE-UHFFFAOYSA-N
XLogP23.43
TPSA330.76 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds33
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002056.38
LogP ≤ 523.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2-(2,6-dimethylphenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(3-methoxyphenyl)ethanone;3-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-phenoxyphenyl)ethanone with MolForge

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Related Compounds

2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone
CID 159458448
1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone
CID 157130590
2-(3-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone
CID 161153519
N-[4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]phenyl]-3-methylbenzamide
CID 161423334
1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-[3-[2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethyl]phenyl]ethanone
CID 157244229
N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide
CID 135143780
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531
3-[2-(3-phenoxyphenyl)acetyl]benzonitrile
CID 2824051
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712
1-(2,4-dimethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62387371
2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone
CID 161326312
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(3-methoxyphenyl)ethanone;3-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-phenoxyphenyl)ethanone?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(3-methoxyphenyl)ethanone;3-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-phenoxyphenyl)ethanone (CID 159554906) is 2-(2,6-dimethylphenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(3-methoxyphenyl)ethanone;3-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-phenoxyphenyl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(3-methoxyphenyl)ethanone;3-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-phenoxyphenyl)ethanone?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(3-methoxyphenyl)ethanone;3-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-phenoxyphenyl)ethanone is COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1c(C)cccc1C.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1ccc(C#N)cc1.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1ccc(Oc2ccccc2)cc1.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1cccc(C#N)c1.COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1cccc(F)c1.COc1cccc(CC(=O)c2ccc(-c3cnn(C)c3)cc2OC)c1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(3-methoxyphenyl)ethanone;3-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-phenoxyphenyl)ethanone?
The InChIKey is MFWBCTXTXIWAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3.C21H22N2O2.2C20H17N3O2.C20H20N2O3.C19H17FN2O2/c1-27-17-20(16-26-27)19-10-13-23(25(15-19)29-2)24(28)14-18-8-11-22(12-9-18)30-21-6-4-3-5-7-21;1-14-6-5-7-15(2)19(14)11-20(24)18-9-8-16(10-21(18)25-4)17-12-22-23(3)13-17;1-23-13-17(12-22-23)16-7-8-18(20(10-16)25-2)19(24)9-14-3-5-15(11-21)6-4-14;1-23-13-17(12-22-23)16-6-7-18(20(10-16)25-2)19(24)9-14-4-3-5-15(8-14)11-21;1-22-13-16(12-21-22)15-7-8-18(20(11-15)25-3)19(23)10-14-5-4-6-17(9-14)24-2;1-22-12-15(11-21-22)14-6-7-17(19(10-14)24-2)18(23)9-13-4-3-5-16(20)8-13/h3-13,15-17H,14H2,1-2H3;5-10,12-13H,11H2,1-4H3;2*3-8,10,12-13H,9H2,1-2H3;4-9,11-13H,10H2,1-3H3;3-8,10-12H,9H2,1-2H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(3-methoxyphenyl)ethanone;3-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-phenoxyphenyl)ethanone?
2-(2,6-dimethylphenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(3-methoxyphenyl)ethanone;3-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-phenoxyphenyl)ethanone has a molecular weight of 2056.38 g/mol, XLogP of 23.43, 33 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(3-methoxyphenyl)ethanone;3-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-phenoxyphenyl)ethanone is sourced from PubChem (CID 159554906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).