2-[2-hydroxy-3-[[5-methyl-3-oxo-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]-2,3-dihydrofuran-5-carboxylic acid

C28H30N4O5 — CID 136510623

About 2-[2-hydroxy-3-[[5-methyl-3-oxo-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]-2,3-dihydrofuran-5-carboxylic acid

2-[2-hydroxy-3-[[5-methyl-3-oxo-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]-2,3-dihydrofuran-5-carboxylic acid (PubChem CID 136510623) has the molecular formula C28H30N4O5 and a molecular weight of 502.57 g/mol. Its IUPAC name is 2-[2-hydroxy-3-[[5-methyl-3-oxo-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]-2,3-dihydrofuran-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[2-hydroxy-3-[[5-methyl-3-oxo-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]-2,3-dihydrofuran-5-carboxylic acid
• PubChem CID: 136510623
• Molecular Formula: C28H30N4O5
• Molecular Weight: 502.57 g/mol
• Exact Mass: 502.22
• IUPAC Name: 2-[2-hydroxy-3-[[5-methyl-3-oxo-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]-2,3-dihydrofuran-5-carboxylic acid
• SMILES: Cc1[nH]n(-c2ccc3c(c2)C(C)(C)CC3(C)C)c(=O)c1/N=N/c1cccc(C2CC=C(C(=O)O)O2)c1O
• InChI: InChI=1S/C28H30N4O5/c1-15-23(30-29-20-8-6-7-17(24(20)33)21-11-12-22(37-21)26(35)36)25(34)32(31-15)16-9-10-18-19(13-16)28(4,5)14-27(18,2)3/h6-10,12-13,21,31,33H,11,14H2,1-5H3,(H,35,36)/b30-29+
• InChIKey: LHVWHDXYZSEUDX-QVIHXGFCSA-N
• XLogP: 5.98
• TPSA: 129.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.57
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-[[5-methyl-3-oxo-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]-2,3-dihydrofuran-5-carboxylic acid?

The IUPAC name of 2-[2-hydroxy-3-[[5-methyl-3-oxo-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]-2,3-dihydrofuran-5-carboxylic acid (CID 136510623) is 2-[2-hydroxy-3-[[5-methyl-3-oxo-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]-2,3-dihydrofuran-5-carboxylic acid.

What is the SMILES notation for 2-[2-hydroxy-3-[[5-methyl-3-oxo-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]-2,3-dihydrofuran-5-carboxylic acid?

The canonical SMILES for 2-[2-hydroxy-3-[[5-methyl-3-oxo-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]-2,3-dihydrofuran-5-carboxylic acid is Cc1[nH]n(-c2ccc3c(c2)C(C)(C)CC3(C)C)c(=O)c1/N=N/c1cccc(C2CC=C(C(=O)O)O2)c1O.

What is the InChIKey of 2-[2-hydroxy-3-[[5-methyl-3-oxo-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]-2,3-dihydrofuran-5-carboxylic acid?

The InChIKey is LHVWHDXYZSEUDX-QVIHXGFCSA-N. The full InChI is InChI=1S/C28H30N4O5/c1-15-23(30-29-20-8-6-7-17(24(20)33)21-11-12-22(37-21)26(35)36)25(34)32(31-15)16-9-10-18-19(13-16)28(4,5)14-27(18,2)3/h6-10,12-13,21,31,33H,11,14H2,1-5H3,(H,35,36)/b30-29+.

What are the key properties of 2-[2-hydroxy-3-[[5-methyl-3-oxo-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]-2,3-dihydrofuran-5-carboxylic acid?

2-[2-hydroxy-3-[[5-methyl-3-oxo-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]-2,3-dihydrofuran-5-carboxylic acid has a molecular weight of 502.57 g/mol, XLogP of 5.98, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-hydroxy-3-[[5-methyl-3-oxo-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]-2,3-dihydrofuran-5-carboxylic acid is sourced from PubChem (CID 136510623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).