3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine

C184H281ClN22O3S3 — CID 159567158

About 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine

3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine (PubChem CID 159567158) has the molecular formula C184H281ClN22O3S3 and a molecular weight of 2981.08 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine
• PubChem CID: 159567158
• Molecular Formula: C184H281ClN22O3S3
• Molecular Weight: 2981.08 g/mol
• Exact Mass: 2978.14
• IUPAC Name: 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine
• SMILES: CC(C)C1=CC=CC1.CC(C)C1=CN=CC1.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C(C)C)c1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1nc(-c2ccc(Cl)cc2)n[nH]1.CC(C)c1nc(-c2ccccc2)n[nH]1.CC(C)c1nc(-c2ccncc2)n[nH]1.CC(C)n1cccc1.CC1=CC=C(C(C)C)C1.CC1=NC=C(C(C)C)C1.CCc1cccn1C(C)C.Cc1cc(C)n(C(C)C)c1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccn(C(C)C)c1.Cc1ncc(C(C)C)n1C
• InChI: InChI=1S/C11H12ClN3.C11H13N3.C10H12N4.2C10H17N.C10H16O.C10H16S.C9H16N2.2C9H15N.C9H14.C8H14N2.2C8H13N.C8H12O.C8H12S.C8H12.2C7H11N.C7H10O.C7H10S/c1-7(2)10-13-11(15-14-10)8-3-5-9(12)6-4-8;1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-8(2)10-5-6-11(7-10)9(3)4;3*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)10-6-8(3)5-9(10)4;1-4-9-6-5-7-10(9)8(2)3;1-7(2)9-5-4-8(3)6-9;1-6(2)8-5-9-7(3)10(8)4;1-6(2)8-4-7(3)9-5-8;1-7(2)9-5-4-8(3)6-9;2*1-6(2)8-5-4-7(3)9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;2*1-6(2)7-4-3-5-8-7/h3-7H,1-2H3,(H,13,14,15);3-8H,1-2H3,(H,12,13,14);3-7H,1-2H3,(H,12,13,14);5-9H,1-4H3;5-8,11H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3;5-8H,4H2,1-3H3;4-5,7H,6H2,1-3H3;5-6H,1-4H3;5-6H,4H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;3-5,7H,6H2,1-2H3;4-6H,3H2,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3
• InChIKey: MHIQWDNCPHGMPT-UHFFFAOYSA-N
• XLogP: 57.09
• TPSA: 288.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 30
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2981.08
LogP ≤ 5	57.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine?

The IUPAC name of 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine (CID 159567158) is 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine.

What is the SMILES notation for 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine?

The canonical SMILES for 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine is CC(C)C1=CC=CC1.CC(C)C1=CN=CC1.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C(C)C)c1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1nc(-c2ccc(Cl)cc2)n[nH]1.CC(C)c1nc(-c2ccccc2)n[nH]1.CC(C)c1nc(-c2ccncc2)n[nH]1.CC(C)n1cccc1.CC1=CC=C(C(C)C)C1.CC1=NC=C(C(C)C)C1.CCc1cccn1C(C)C.Cc1cc(C)n(C(C)C)c1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccn(C(C)C)c1.Cc1ncc(C(C)C)n1C.

What is the InChIKey of 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine?

The InChIKey is MHIQWDNCPHGMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3.C11H13N3.C10H12N4.2C10H17N.C10H16O.C10H16S.C9H16N2.2C9H15N.C9H14.C8H14N2.2C8H13N.C8H12O.C8H12S.C8H12.2C7H11N.C7H10O.C7H10S/c1-7(2)10-13-11(15-14-10)8-3-5-9(12)6-4-8;1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-8(2)10-5-6-11(7-10)9(3)4;3*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)10-6-8(3)5-9(10)4;1-4-9-6-5-7-10(9)8(2)3;1-7(2)9-5-4-8(3)6-9;1-6(2)8-5-9-7(3)10(8)4;1-6(2)8-4-7(3)9-5-8;1-7(2)9-5-4-8(3)6-9;2*1-6(2)8-5-4-7(3)9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;2*1-6(2)7-4-3-5-8-7/h3-7H,1-2H3,(H,13,14,15);3-8H,1-2H3,(H,12,13,14);3-7H,1-2H3,(H,12,13,14);5-9H,1-4H3;5-8,11H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3;5-8H,4H2,1-3H3;4-5,7H,6H2,1-3H3;5-6H,1-4H3;5-6H,4H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;3-5,7H,6H2,1-2H3;4-6H,3H2,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3.

What are the key properties of 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine?

3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine has a molecular weight of 2981.08 g/mol, XLogP of 57.09, 30 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 159567158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).