cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine

C122H159FN14O2 — CID 157102469

About cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine

cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine (PubChem CID 157102469) has the molecular formula C122H159FN14O2 and a molecular weight of 1872.71 g/mol. Its IUPAC name is cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine.

Molecular Properties

• Compound Name: cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
• PubChem CID: 157102469
• Molecular Formula: C122H159FN14O2
• Molecular Weight: 1872.71 g/mol
• Exact Mass: 1871.28
• IUPAC Name: cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
• SMILES: CC(C)C1=c2ccccc2=NC1.CC(C)C1C=c2ccccc2=N1.CC(C)C1N=c2ccccc2=N1.CC(C)c1[nH]nc2ccccc12.CC(C)c1cc(-c2ccc(F)cc2)n[nH]1.CC(C)c1ccc(CCO)cc1.CC(C)c1ccc(N)cc1.CC(C)c1ccc(O)cc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1
• InChI: InChI=1S/C12H13FN2.2C11H13N.C11H16O.2C10H12N2.C9H13N.C9H12O.C9H12.3C8H11N.C6H10N2/c1-8(2)11-7-12(15-14-11)9-3-5-10(13)6-4-9;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-9(2)11-5-3-10(4-6-11)7-8-12;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;2*1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-4-7-8-6/h3-8H,1-2H3,(H,14,15);3-6,8H,7H2,1-2H3;3-8,11H,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-7,10H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,10H2,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3-5H,1-2H3,(H,7,8)
• InChIKey: AFXOMMIACGJSCS-UHFFFAOYSA-N
• XLogP: 27.41
• TPSA: 240.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1872.71
LogP ≤ 5	27.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?

The IUPAC name of cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine (CID 157102469) is cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine.

What is the SMILES notation for cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?

The canonical SMILES for cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine is CC(C)C1=c2ccccc2=NC1.CC(C)C1C=c2ccccc2=N1.CC(C)C1N=c2ccccc2=N1.CC(C)c1[nH]nc2ccccc12.CC(C)c1cc(-c2ccc(F)cc2)n[nH]1.CC(C)c1ccc(CCO)cc1.CC(C)c1ccc(N)cc1.CC(C)c1ccc(O)cc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.

What is the InChIKey of cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?

The InChIKey is AFXOMMIACGJSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2.2C11H13N.C11H16O.2C10H12N2.C9H13N.C9H12O.C9H12.3C8H11N.C6H10N2/c1-8(2)11-7-12(15-14-11)9-3-5-10(13)6-4-9;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-9(2)11-5-3-10(4-6-11)7-8-12;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;2*1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-4-7-8-6/h3-8H,1-2H3,(H,14,15);3-6,8H,7H2,1-2H3;3-8,11H,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-7,10H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,10H2,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3-5H,1-2H3,(H,7,8).

What are the key properties of cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?

cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine has a molecular weight of 1872.71 g/mol, XLogP of 27.41, 16 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine is sourced from PubChem (CID 157102469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).