1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazole;2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;1-(4-methoxyphenyl)-4,5-dimethylpyrazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole

C139H131ClF12N20O5S — CID 159581830

About 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazole;2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;1-(4-methoxyphenyl)-4,5-dimethylpyrazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole

1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazole;2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;1-(4-methoxyphenyl)-4,5-dimethylpyrazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole (PubChem CID 159581830) has the molecular formula C139H131ClF12N20O5S and a molecular weight of 2457.21 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazole;2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;1-(4-methoxyphenyl)-4,5-dimethylpyrazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

• Compound Name: 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazole;2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;1-(4-methoxyphenyl)-4,5-dimethylpyrazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole
• PubChem CID: 159581830
• Molecular Formula: C139H131ClF12N20O5S
• Molecular Weight: 2457.21 g/mol
• Exact Mass: 2454.98
• IUPAC Name: 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazole;2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;1-(4-methoxyphenyl)-4,5-dimethylpyrazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole
• SMILES: COc1ccc(-n2ncc(C)c2C)cc1.Cc1cc(C)n(Cc2ccc(Cl)cc2)n1.Cc1ccc(Oc2ccccc2)nc1.Cc1cccnc1Oc1ccc(F)cc1.Cc1cccnc1Oc1ccccc1.Cc1cncc(-c2ccccc2)c1.Cc1cnn(-c2ccc(F)cc2)c1C.Cc1cnn(-c2ccc(F)cc2)c1C(F)(F)F.Cc1cnn(-c2ccccc2)c1C.Cc1cnn(-c2ccccc2)c1C(F)(F)F.Cc1csc(-c2ccc3c(c2)CCO3)n1.Cc1nc(C)n(-c2cccc(C(F)(F)F)c2)n1
• InChI: InChI=1S/C12H13ClN2.C12H10FNO.C12H14N2O.C12H11NOS.2C12H11NO.C12H11N.C11H8F4N2.C11H10F3N3.C11H9F3N2.C11H11FN2.C11H12N2/c1-9-7-10(2)15(14-9)8-11-3-5-12(13)6-4-11;1-9-3-2-8-14-12(9)15-11-6-4-10(13)5-7-11;1-9-8-13-14(10(9)2)11-4-6-12(15-3)7-5-11;1-8-7-15-12(13-8)10-2-3-11-9(6-10)4-5-14-11;1-10-6-5-9-13-12(10)14-11-7-3-2-4-8-11;1-10-7-8-12(13-9-10)14-11-5-3-2-4-6-11;1-10-7-12(9-13-8-10)11-5-3-2-4-6-11;1-7-6-16-17(10(7)11(13,14)15)9-4-2-8(12)3-5-9;1-7-15-8(2)17(16-7)10-5-3-4-9(6-10)11(12,13)14;1-8-7-15-16(10(8)11(12,13)14)9-5-3-2-4-6-9;1-8-7-13-14(9(8)2)11-5-3-10(12)4-6-11;1-9-8-12-13(10(9)2)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3;2-8H,1H3;4-8H,1-3H3;2-3,6-7H,4-5H2,1H3;2*2-9H,1H3;2-9H,1H3;2-6H,1H3;3-6H,1-2H3;2-7H,1H3;3-7H,1-2H3;3-8H,1-2H3
• InChIKey: MJCOJFKYOFVWPH-UHFFFAOYSA-N
• XLogP: 36.05
• TPSA: 248.23 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2457.21
LogP ≤ 5	36.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazole;2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;1-(4-methoxyphenyl)-4,5-dimethylpyrazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole?

The IUPAC name of 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazole;2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;1-(4-methoxyphenyl)-4,5-dimethylpyrazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole (CID 159581830) is 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazole;2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;1-(4-methoxyphenyl)-4,5-dimethylpyrazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole.

What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazole;2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;1-(4-methoxyphenyl)-4,5-dimethylpyrazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole?

The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazole;2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;1-(4-methoxyphenyl)-4,5-dimethylpyrazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole is COc1ccc(-n2ncc(C)c2C)cc1.Cc1cc(C)n(Cc2ccc(Cl)cc2)n1.Cc1ccc(Oc2ccccc2)nc1.Cc1cccnc1Oc1ccc(F)cc1.Cc1cccnc1Oc1ccccc1.Cc1cncc(-c2ccccc2)c1.Cc1cnn(-c2ccc(F)cc2)c1C.Cc1cnn(-c2ccc(F)cc2)c1C(F)(F)F.Cc1cnn(-c2ccccc2)c1C.Cc1cnn(-c2ccccc2)c1C(F)(F)F.Cc1csc(-c2ccc3c(c2)CCO3)n1.Cc1nc(C)n(-c2cccc(C(F)(F)F)c2)n1.

What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazole;2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;1-(4-methoxyphenyl)-4,5-dimethylpyrazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole?

The InChIKey is MJCOJFKYOFVWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2.C12H10FNO.C12H14N2O.C12H11NOS.2C12H11NO.C12H11N.C11H8F4N2.C11H10F3N3.C11H9F3N2.C11H11FN2.C11H12N2/c1-9-7-10(2)15(14-9)8-11-3-5-12(13)6-4-11;1-9-3-2-8-14-12(9)15-11-6-4-10(13)5-7-11;1-9-8-13-14(10(9)2)11-4-6-12(15-3)7-5-11;1-8-7-15-12(13-8)10-2-3-11-9(6-10)4-5-14-11;1-10-6-5-9-13-12(10)14-11-7-3-2-4-8-11;1-10-7-8-12(13-9-10)14-11-5-3-2-4-6-11;1-10-7-12(9-13-8-10)11-5-3-2-4-6-11;1-7-6-16-17(10(7)11(13,14)15)9-4-2-8(12)3-5-9;1-7-15-8(2)17(16-7)10-5-3-4-9(6-10)11(12,13)14;1-8-7-15-16(10(8)11(12,13)14)9-5-3-2-4-6-9;1-8-7-13-14(9(8)2)11-5-3-10(12)4-6-11;1-9-8-12-13(10(9)2)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3;2-8H,1H3;4-8H,1-3H3;2-3,6-7H,4-5H2,1H3;2*2-9H,1H3;2-9H,1H3;2-6H,1H3;3-6H,1-2H3;2-7H,1H3;3-7H,1-2H3;3-8H,1-2H3.

What are the key properties of 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazole;2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;1-(4-methoxyphenyl)-4,5-dimethylpyrazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole?

1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazole;2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;1-(4-methoxyphenyl)-4,5-dimethylpyrazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole has a molecular weight of 2457.21 g/mol, XLogP of 36.05, 17 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazole;2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;1-(4-methoxyphenyl)-4,5-dimethylpyrazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 159581830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).