1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

C187H166ClF3N38O2S — CID 158756493

About 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 158756493) has the molecular formula C187H166ClF3N38O2S and a molecular weight of 3102.16 g/mol. Its IUPAC name is 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 158756493
• Molecular Formula: C187H166ClF3N38O2S
• Molecular Weight: 3102.16 g/mol
• Exact Mass: 3099.34
• IUPAC Name: 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
• SMILES: COc1ccc(-c2ccc[nH]2)cc1.Cc1ccc(-n2cccn2)cc1.Cc1ccc(-n2ccnc2)cc1.Cc1ccc2c[nH]cc2c1.Cc1ccc2cc[nH]c2c1.Cc1cccc(-n2cccn2)c1.Cc1ccnn1-c1ccccc1.Cc1cnn(-c2ccccc2)c1.Cc1nc(-c2ccccc2)no1.Clc1cccc(-n2cccn2)c1.Cn1ccc2ccccc21.Fc1ccc(-c2ccccn2)cc1F.Fc1cccc(-c2nccs2)c1.c1ccc(-c2ncccn2)cc1.c1ccc(-n2ccnc2)cc1.c1ccc2cnccc2c1.c1ccc2ncncc2c1.c1ccn2cnnc2c1.c1ccn2nnnc2c1.c1cnc2[nH]ccc2c1.c1cnc2c[nH]cc2c1
• InChI: InChI=1S/C11H7F2N.C11H11NO.5C10H10N2.C10H8N2.C9H7ClN2.C9H6FNS.C9H8N2O.C9H8N2.3C9H9N.C9H7N.C8H6N2.2C7H6N2.C6H5N3.C5H4N4/c12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-13-10-6-4-9(5-7-10)11-3-2-8-12-11;1-9-3-5-10(6-4-9)12-8-2-7-11-12;1-9-2-4-10(5-3-9)12-7-6-11-8-12;1-9-4-2-5-10(8-9)12-7-3-6-11-12;1-9-7-11-12(8-9)10-5-3-2-4-6-10;1-9-7-8-11-12(9)10-5-3-2-4-6-10;1-2-5-9(6-3-1)10-11-7-4-8-12-10;10-8-3-1-4-9(7-8)12-6-2-5-11-12;10-8-3-1-2-7(6-8)9-11-4-5-12-9;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-2-4-9(5-3-1)11-7-6-10-8-11;1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-8-4-5-10-9(8)6-7;1-10-7-6-8-4-2-3-5-9(8)10;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-6-3-5-9-7(6)8-4-1;1-2-6-4-8-5-7(6)9-3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-5(3-1)6-7-8-9/h1-7H;2-8,12H,1H3;5*2-8H,1H3;1-8H;1-7H;1-6H;2-6H,1H3;1-8H;2*2-6,10H,1H3;2-7H,1H3;1-7H;1-6H;1-5H,(H,8,9);1-5,8H;1-5H;1-4H
• InChIKey: IODHZNXJUNVAJG-UHFFFAOYSA-N
• XLogP: 43.13
• TPSA: 446.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 13
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3102.16
LogP ≤ 5	43.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (CID 158756493) is 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is COc1ccc(-c2ccc[nH]2)cc1.Cc1ccc(-n2cccn2)cc1.Cc1ccc(-n2ccnc2)cc1.Cc1ccc2c[nH]cc2c1.Cc1ccc2cc[nH]c2c1.Cc1cccc(-n2cccn2)c1.Cc1ccnn1-c1ccccc1.Cc1cnn(-c2ccccc2)c1.Cc1nc(-c2ccccc2)no1.Clc1cccc(-n2cccn2)c1.Cn1ccc2ccccc21.Fc1ccc(-c2ccccn2)cc1F.Fc1cccc(-c2nccs2)c1.c1ccc(-c2ncccn2)cc1.c1ccc(-n2ccnc2)cc1.c1ccc2cnccc2c1.c1ccc2ncncc2c1.c1ccn2cnnc2c1.c1ccn2nnnc2c1.c1cnc2[nH]ccc2c1.c1cnc2c[nH]cc2c1.

What is the InChIKey of 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is IODHZNXJUNVAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N.C11H11NO.5C10H10N2.C10H8N2.C9H7ClN2.C9H6FNS.C9H8N2O.C9H8N2.3C9H9N.C9H7N.C8H6N2.2C7H6N2.C6H5N3.C5H4N4/c12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-13-10-6-4-9(5-7-10)11-3-2-8-12-11;1-9-3-5-10(6-4-9)12-8-2-7-11-12;1-9-2-4-10(5-3-9)12-7-6-11-8-12;1-9-4-2-5-10(8-9)12-7-3-6-11-12;1-9-7-11-12(8-9)10-5-3-2-4-6-10;1-9-7-8-11-12(9)10-5-3-2-4-6-10;1-2-5-9(6-3-1)10-11-7-4-8-12-10;10-8-3-1-4-9(7-8)12-6-2-5-11-12;10-8-3-1-2-7(6-8)9-11-4-5-12-9;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-2-4-9(5-3-1)11-7-6-10-8-11;1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-8-4-5-10-9(8)6-7;1-10-7-6-8-4-2-3-5-9(8)10;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-6-3-5-9-7(6)8-4-1;1-2-6-4-8-5-7(6)9-3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-5(3-1)6-7-8-9/h1-7H;2-8,12H,1H3;5*2-8H,1H3;1-8H;1-7H;1-6H;2-6H,1H3;1-8H;2*2-6,10H,1H3;2-7H,1H3;1-7H;1-6H;1-5H,(H,8,9);1-5,8H;1-5H;1-4H.

What are the key properties of 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?

1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 3102.16 g/mol, XLogP of 43.13, 13 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 158756493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).