1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;5-propan-2-yl-1H-indazole

C71H88N8 — CID 161096332

About 1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;5-propan-2-yl-1H-indazole

1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;5-propan-2-yl-1H-indazole (PubChem CID 161096332) has the molecular formula C71H88N8 and a molecular weight of 1053.54 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;5-propan-2-yl-1H-indazole.

Molecular Properties

• Compound Name: 1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;5-propan-2-yl-1H-indazole
• PubChem CID: 161096332
• Molecular Formula: C71H88N8
• Molecular Weight: 1053.54 g/mol
• Exact Mass: 1052.71
• IUPAC Name: 1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;5-propan-2-yl-1H-indazole
• SMILES: CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1cccc(-c2ccccc2)c1.CC[C@H](C)n1nc(C2CC2)c2cc(C(C)C)ccc21.Cn1cc(-c2ccc3cc(C(C)(C)C)n(C)c3c2)cn1
• InChI: InChI=1S/C17H21N3.C17H24N2.C15H16.C12H15N.C10H12N2/c1-17(2,3)16-9-13-7-6-12(8-15(13)20(16)5)14-10-18-19(4)11-14;1-5-12(4)19-16-9-8-14(11(2)3)10-15(16)17(18-19)13-6-7-13;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-7(2)8-3-4-10-9(5-8)6-11-12-10/h6-11H,1-5H3;8-13H,5-7H2,1-4H3;3-12H,1-2H3;4-9H,1-3H3;3-7H,1-2H3,(H,11,12)/t;12-;;;/m.0.../s1
• InChIKey: UHVOFQYSACBEQB-ZDJNGQJDSA-N
• XLogP: 19.35
• TPSA: 74.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1053.54
LogP ≤ 5	19.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;5-propan-2-yl-1H-indazole?

The IUPAC name of 1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;5-propan-2-yl-1H-indazole (CID 161096332) is 1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;5-propan-2-yl-1H-indazole.

What is the SMILES notation for 1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;5-propan-2-yl-1H-indazole?

The canonical SMILES for 1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;5-propan-2-yl-1H-indazole is CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1cccc(-c2ccccc2)c1.CC[C@H](C)n1nc(C2CC2)c2cc(C(C)C)ccc21.Cn1cc(-c2ccc3cc(C(C)(C)C)n(C)c3c2)cn1.

What is the InChIKey of 1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;5-propan-2-yl-1H-indazole?

The InChIKey is UHVOFQYSACBEQB-ZDJNGQJDSA-N. The full InChI is InChI=1S/C17H21N3.C17H24N2.C15H16.C12H15N.C10H12N2/c1-17(2,3)16-9-13-7-6-12(8-15(13)20(16)5)14-10-18-19(4)11-14;1-5-12(4)19-16-9-8-14(11(2)3)10-15(16)17(18-19)13-6-7-13;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-7(2)8-3-4-10-9(5-8)6-11-12-10/h6-11H,1-5H3;8-13H,5-7H2,1-4H3;3-12H,1-2H3;4-9H,1-3H3;3-7H,1-2H3,(H,11,12)/t;12-;;;/m.0.../s1.

What are the key properties of 1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;5-propan-2-yl-1H-indazole?

1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;5-propan-2-yl-1H-indazole has a molecular weight of 1053.54 g/mol, XLogP of 19.35, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;5-propan-2-yl-1H-indazole is sourced from PubChem (CID 161096332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).