1-benzyl-4-methylpyrazole;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;2-ethoxy-1,3,5-trimethylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfonylbenzene;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,3-trimethylaniline;N,N,4-trimethylaniline;3,4,5-trimethyl-1,2-oxazole

C205H252Cl2F7N5O20S — CID 163516646

About 1-benzyl-4-methylpyrazole;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;2-ethoxy-1,3,5-trimethylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfonylbenzene;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,3-trimethylaniline;N,N,4-trimethylaniline;3,4,5-trimethyl-1,2-oxazole

1-benzyl-4-methylpyrazole;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;2-ethoxy-1,3,5-trimethylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfonylbenzene;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,3-trimethylaniline;N,N,4-trimethylaniline;3,4,5-trimethyl-1,2-oxazole (PubChem CID 163516646) has the molecular formula C205H252Cl2F7N5O20S and a molecular weight of 3342.24 g/mol. Its IUPAC name is 1-benzyl-4-methylpyrazole;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;2-ethoxy-1,3,5-trimethylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfonylbenzene;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,3-trimethylaniline;N,N,4-trimethylaniline;3,4,5-trimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 1-benzyl-4-methylpyrazole;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;2-ethoxy-1,3,5-trimethylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfonylbenzene;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,3-trimethylaniline;N,N,4-trimethylaniline;3,4,5-trimethyl-1,2-oxazole
• PubChem CID: 163516646
• Molecular Formula: C205H252Cl2F7N5O20S
• Molecular Weight: 3342.24 g/mol
• Exact Mass: 3338.78
• IUPAC Name: 1-benzyl-4-methylpyrazole;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;2-ethoxy-1,3,5-trimethylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfonylbenzene;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,3-trimethylaniline;N,N,4-trimethylaniline;3,4,5-trimethyl-1,2-oxazole
• SMILES: CC(=O)c1ccc(C)cc1.CCCOc1cccc(C)c1.CCOc1c(C)cc(C)cc1C.CCOc1ccc(C)cc1F.CCOc1cccc(C)c1.COCc1cccc(C)c1.COc1c(C)cc(C)cc1C.COc1c(F)cc(C)cc1F.COc1cc(C)cc(OC)c1.COc1ccc2cc(C)ccc2c1.Cc1cc(OC(C)C)ccc1F.Cc1ccc(N(C)C)cc1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)cc1.Cc1ccc(OC(F)(F)F)cc1.Cc1ccc(OCc2ccccc2)c(Cl)c1.Cc1ccc(OCc2ccccc2)cc1.Cc1ccc(S(C)(=O)=O)cc1.Cc1cccc(N(C)C)c1.Cc1cnn(Cc2ccccc2)c1.Cc1noc(C)c1C
• InChI: InChI=1S/C14H13ClO.C14H14O.C12H12O.C11H12N2.C11H16O.C10H13ClO.C10H13FO.3C10H14O.C9H11FO.2C9H13N.C9H12O2.C9H10O.2C9H12O.C8H7F3O.C8H8F2O.C8H10O2S.C6H9NO/c1-11-7-8-14(13(15)9-11)16-10-12-5-3-2-4-6-12;1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13;1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-10-7-12-13(8-10)9-11-5-3-2-4-6-11;1-5-12-11-9(3)6-8(2)7-10(11)4;1-7(2)12-10-5-4-8(3)6-9(10)11;1-7(2)12-9-4-5-10(11)8(3)6-9;1-7-5-8(2)10(11-4)9(3)6-7;1-8(2)11-10-6-4-9(3)5-7-10;1-3-7-11-10-6-4-5-9(2)8-10;1-3-11-9-5-4-7(2)6-8(9)10;1-8-4-6-9(7-5-8)10(2)3;1-8-5-4-6-9(7-8)10(2)3;1-7-4-8(10-2)6-9(5-7)11-3;1-7-3-5-9(6-4-7)8(2)10;1-8-4-3-5-9(6-8)7-10-2;1-3-10-9-6-4-5-8(2)7-9;1-6-2-4-7(5-3-6)12-8(9,10)11;1-5-3-6(9)8(11-2)7(10)4-5;1-7-3-5-8(6-4-7)11(2,9)10;1-4-5(2)7-8-6(4)3/h2-9H,10H2,1H3;2-10H,11H2,1H3;3-8H,1-2H3;2-8H,9H2,1H3;6-7H,5H2,1-4H3;2*4-7H,1-3H3;5-6H,1-4H3;4-8H,1-3H3;4-6,8H,3,7H2,1-2H3;4-6H,3H2,1-2H3;2*4-7H,1-3H3;4-6H,1-3H3;3-6H,1-2H3;3-6H,7H2,1-2H3;4-7H,3H2,1-2H3;2-5H,1H3;3-4H,1-2H3;3-6H,1-2H3;1-3H3
• InChIKey: DHHWBZKYLDHTBK-UHFFFAOYSA-N
• XLogP: 54.33
• TPSA: 249.22 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 35
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3342.24
LogP ≤ 5	54.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylpyrazole;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;2-ethoxy-1,3,5-trimethylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfonylbenzene;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,3-trimethylaniline;N,N,4-trimethylaniline;3,4,5-trimethyl-1,2-oxazole?

The IUPAC name of 1-benzyl-4-methylpyrazole;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;2-ethoxy-1,3,5-trimethylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfonylbenzene;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,3-trimethylaniline;N,N,4-trimethylaniline;3,4,5-trimethyl-1,2-oxazole (CID 163516646) is 1-benzyl-4-methylpyrazole;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;2-ethoxy-1,3,5-trimethylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfonylbenzene;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,3-trimethylaniline;N,N,4-trimethylaniline;3,4,5-trimethyl-1,2-oxazole.

What is the SMILES notation for 1-benzyl-4-methylpyrazole;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;2-ethoxy-1,3,5-trimethylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfonylbenzene;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,3-trimethylaniline;N,N,4-trimethylaniline;3,4,5-trimethyl-1,2-oxazole?

The canonical SMILES for 1-benzyl-4-methylpyrazole;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;2-ethoxy-1,3,5-trimethylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfonylbenzene;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,3-trimethylaniline;N,N,4-trimethylaniline;3,4,5-trimethyl-1,2-oxazole is CC(=O)c1ccc(C)cc1.CCCOc1cccc(C)c1.CCOc1c(C)cc(C)cc1C.CCOc1ccc(C)cc1F.CCOc1cccc(C)c1.COCc1cccc(C)c1.COc1c(C)cc(C)cc1C.COc1c(F)cc(C)cc1F.COc1cc(C)cc(OC)c1.COc1ccc2cc(C)ccc2c1.Cc1cc(OC(C)C)ccc1F.Cc1ccc(N(C)C)cc1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)cc1.Cc1ccc(OC(F)(F)F)cc1.Cc1ccc(OCc2ccccc2)c(Cl)c1.Cc1ccc(OCc2ccccc2)cc1.Cc1ccc(S(C)(=O)=O)cc1.Cc1cccc(N(C)C)c1.Cc1cnn(Cc2ccccc2)c1.Cc1noc(C)c1C.

What is the InChIKey of 1-benzyl-4-methylpyrazole;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;2-ethoxy-1,3,5-trimethylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfonylbenzene;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,3-trimethylaniline;N,N,4-trimethylaniline;3,4,5-trimethyl-1,2-oxazole?

The InChIKey is DHHWBZKYLDHTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO.C14H14O.C12H12O.C11H12N2.C11H16O.C10H13ClO.C10H13FO.3C10H14O.C9H11FO.2C9H13N.C9H12O2.C9H10O.2C9H12O.C8H7F3O.C8H8F2O.C8H10O2S.C6H9NO/c1-11-7-8-14(13(15)9-11)16-10-12-5-3-2-4-6-12;1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13;1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-10-7-12-13(8-10)9-11-5-3-2-4-6-11;1-5-12-11-9(3)6-8(2)7-10(11)4;1-7(2)12-10-5-4-8(3)6-9(10)11;1-7(2)12-9-4-5-10(11)8(3)6-9;1-7-5-8(2)10(11-4)9(3)6-7;1-8(2)11-10-6-4-9(3)5-7-10;1-3-7-11-10-6-4-5-9(2)8-10;1-3-11-9-5-4-7(2)6-8(9)10;1-8-4-6-9(7-5-8)10(2)3;1-8-5-4-6-9(7-8)10(2)3;1-7-4-8(10-2)6-9(5-7)11-3;1-7-3-5-9(6-4-7)8(2)10;1-8-4-3-5-9(6-8)7-10-2;1-3-10-9-6-4-5-8(2)7-9;1-6-2-4-7(5-3-6)12-8(9,10)11;1-5-3-6(9)8(11-2)7(10)4-5;1-7-3-5-8(6-4-7)11(2,9)10;1-4-5(2)7-8-6(4)3/h2-9H,10H2,1H3;2-10H,11H2,1H3;3-8H,1-2H3;2-8H,9H2,1H3;6-7H,5H2,1-4H3;2*4-7H,1-3H3;5-6H,1-4H3;4-8H,1-3H3;4-6,8H,3,7H2,1-2H3;4-6H,3H2,1-2H3;2*4-7H,1-3H3;4-6H,1-3H3;3-6H,1-2H3;3-6H,7H2,1-2H3;4-7H,3H2,1-2H3;2-5H,1H3;3-4H,1-2H3;3-6H,1-2H3;1-3H3.

What are the key properties of 1-benzyl-4-methylpyrazole;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;2-ethoxy-1,3,5-trimethylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfonylbenzene;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,3-trimethylaniline;N,N,4-trimethylaniline;3,4,5-trimethyl-1,2-oxazole?

1-benzyl-4-methylpyrazole;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;2-ethoxy-1,3,5-trimethylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfonylbenzene;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,3-trimethylaniline;N,N,4-trimethylaniline;3,4,5-trimethyl-1,2-oxazole has a molecular weight of 3342.24 g/mol, XLogP of 54.33, 35 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-4-methylpyrazole;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;1,3-difluoro-2-methoxy-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;2-ethoxy-1,3,5-trimethylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfonylbenzene;1-(4-methylphenyl)ethanone;1-methyl-4-phenylmethoxybenzene;1-methyl-4-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;1-methyl-4-(trifluoromethoxy)benzene;N,N,3-trimethylaniline;N,N,4-trimethylaniline;3,4,5-trimethyl-1,2-oxazole is sourced from PubChem (CID 163516646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).