2-tert-butyl-5-ethyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2-cyclopentyl-5-methyl-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethyl-1H-pyrazol-3-one;4-[[4-[(3,4-dibutylphenyl)diazenyl]phenyl]diazenyl]-2-methyl-5-pentyl-1H-pyrazol-3-one;2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-5-(2-methylpropyl)-1H-pyrazol-3-one

C120H148N30O5 — CID 162166322

About 2-tert-butyl-5-ethyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2-cyclopentyl-5-methyl-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethyl-1H-pyrazol-3-one;4-[[4-[(3,4-dibutylphenyl)diazenyl]phenyl]diazenyl]-2-methyl-5-pentyl-1H-pyrazol-3-one;2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-5-(2-methylpropyl)-1H-pyrazol-3-one

2-tert-butyl-5-ethyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2-cyclopentyl-5-methyl-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethyl-1H-pyrazol-3-one;4-[[4-[(3,4-dibutylphenyl)diazenyl]phenyl]diazenyl]-2-methyl-5-pentyl-1H-pyrazol-3-one;2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-5-(2-methylpropyl)-1H-pyrazol-3-one (PubChem CID 162166322) has the molecular formula C120H148N30O5 and a molecular weight of 2090.71 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2-cyclopentyl-5-methyl-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethyl-1H-pyrazol-3-one;4-[[4-[(3,4-dibutylphenyl)diazenyl]phenyl]diazenyl]-2-methyl-5-pentyl-1H-pyrazol-3-one;2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-5-(2-methylpropyl)-1H-pyrazol-3-one.

Molecular Properties

• Compound Name: 2-tert-butyl-5-ethyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2-cyclopentyl-5-methyl-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethyl-1H-pyrazol-3-one;4-[[4-[(3,4-dibutylphenyl)diazenyl]phenyl]diazenyl]-2-methyl-5-pentyl-1H-pyrazol-3-one;2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-5-(2-methylpropyl)-1H-pyrazol-3-one
• PubChem CID: 162166322
• Molecular Formula: C120H148N30O5
• Molecular Weight: 2090.71 g/mol
• Exact Mass: 2089.22
• IUPAC Name: 2-tert-butyl-5-ethyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2-cyclopentyl-5-methyl-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethyl-1H-pyrazol-3-one;4-[[4-[(3,4-dibutylphenyl)diazenyl]phenyl]diazenyl]-2-methyl-5-pentyl-1H-pyrazol-3-one;2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-5-(2-methylpropyl)-1H-pyrazol-3-one
• SMILES: CCCCCc1[nH]n(C)c(=O)c1/N=N/c1ccc(/N=N/c2ccc(CCCC)c(CCCC)c2)cc1.CCCCc1ccc(/N=N/c2cc(C)c(/N=N/c3c(C)[nH]n(C4CCCC4)c3=O)cc2C)cc1.CCCCc1ccc(/N=N/c2ccc(/N=N/c3c(C)[nH]n(C)c3=O)c(C)c2)cc1.CCc1[nH]n(C(C)(C)C)c(=O)c1/N=N/c1ccc(/N=N/c2ccccc2)cc1.Cc1ccc(/N=N/c2ccc(/N=N/c3c(CC(C)C)[nH]n(C)c3=O)cc2)cc1
• InChI: InChI=1S/C29H40N6O.C27H34N6O.C22H26N6O.2C21H24N6O/c1-5-8-11-14-27-28(29(36)35(4)34-27)33-31-25-19-17-24(18-20-25)30-32-26-16-15-22(12-9-6-2)23(21-26)13-10-7-3;1-5-6-9-21-12-14-22(15-13-21)28-29-24-16-19(3)25(17-18(24)2)30-31-26-20(4)32-33(27(26)34)23-10-7-8-11-23;1-5-6-7-17-8-10-18(11-9-17)23-24-19-12-13-20(15(2)14-19)25-26-21-16(3)27-28(4)22(21)29;1-14(2)13-19-20(21(28)27(4)26-19)25-24-18-11-9-17(10-12-18)23-22-16-7-5-15(3)6-8-16;1-5-18-19(20(28)27(26-18)21(2,3)4)25-24-17-13-11-16(12-14-17)23-22-15-9-7-6-8-10-15/h15-21,34H,5-14H2,1-4H3;12-17,23,32H,5-11H2,1-4H3;8-14,27H,5-7H2,1-4H3;5-12,14,26H,13H2,1-4H3;6-14,26H,5H2,1-4H3/b32-30+,33-31+;29-28+,31-30+;24-23+,26-25+;2*23-22+,25-24+
• InChIKey: BZDGBHJFRYXUGM-SCRKHXCOSA-N
• XLogP: 36.23
• TPSA: 436.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 40
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2090.71
LogP ≤ 5	36.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2-cyclopentyl-5-methyl-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethyl-1H-pyrazol-3-one;4-[[4-[(3,4-dibutylphenyl)diazenyl]phenyl]diazenyl]-2-methyl-5-pentyl-1H-pyrazol-3-one;2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-5-(2-methylpropyl)-1H-pyrazol-3-one?

The IUPAC name of 2-tert-butyl-5-ethyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2-cyclopentyl-5-methyl-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethyl-1H-pyrazol-3-one;4-[[4-[(3,4-dibutylphenyl)diazenyl]phenyl]diazenyl]-2-methyl-5-pentyl-1H-pyrazol-3-one;2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-5-(2-methylpropyl)-1H-pyrazol-3-one (CID 162166322) is 2-tert-butyl-5-ethyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2-cyclopentyl-5-methyl-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethyl-1H-pyrazol-3-one;4-[[4-[(3,4-dibutylphenyl)diazenyl]phenyl]diazenyl]-2-methyl-5-pentyl-1H-pyrazol-3-one;2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-5-(2-methylpropyl)-1H-pyrazol-3-one.

What is the SMILES notation for 2-tert-butyl-5-ethyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2-cyclopentyl-5-methyl-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethyl-1H-pyrazol-3-one;4-[[4-[(3,4-dibutylphenyl)diazenyl]phenyl]diazenyl]-2-methyl-5-pentyl-1H-pyrazol-3-one;2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-5-(2-methylpropyl)-1H-pyrazol-3-one?

The canonical SMILES for 2-tert-butyl-5-ethyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2-cyclopentyl-5-methyl-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethyl-1H-pyrazol-3-one;4-[[4-[(3,4-dibutylphenyl)diazenyl]phenyl]diazenyl]-2-methyl-5-pentyl-1H-pyrazol-3-one;2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-5-(2-methylpropyl)-1H-pyrazol-3-one is CCCCCc1[nH]n(C)c(=O)c1/N=N/c1ccc(/N=N/c2ccc(CCCC)c(CCCC)c2)cc1.CCCCc1ccc(/N=N/c2cc(C)c(/N=N/c3c(C)[nH]n(C4CCCC4)c3=O)cc2C)cc1.CCCCc1ccc(/N=N/c2ccc(/N=N/c3c(C)[nH]n(C)c3=O)c(C)c2)cc1.CCc1[nH]n(C(C)(C)C)c(=O)c1/N=N/c1ccc(/N=N/c2ccccc2)cc1.Cc1ccc(/N=N/c2ccc(/N=N/c3c(CC(C)C)[nH]n(C)c3=O)cc2)cc1.

What is the InChIKey of 2-tert-butyl-5-ethyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2-cyclopentyl-5-methyl-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethyl-1H-pyrazol-3-one;4-[[4-[(3,4-dibutylphenyl)diazenyl]phenyl]diazenyl]-2-methyl-5-pentyl-1H-pyrazol-3-one;2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-5-(2-methylpropyl)-1H-pyrazol-3-one?

The InChIKey is BZDGBHJFRYXUGM-SCRKHXCOSA-N. The full InChI is InChI=1S/C29H40N6O.C27H34N6O.C22H26N6O.2C21H24N6O/c1-5-8-11-14-27-28(29(36)35(4)34-27)33-31-25-19-17-24(18-20-25)30-32-26-16-15-22(12-9-6-2)23(21-26)13-10-7-3;1-5-6-9-21-12-14-22(15-13-21)28-29-24-16-19(3)25(17-18(24)2)30-31-26-20(4)32-33(27(26)34)23-10-7-8-11-23;1-5-6-7-17-8-10-18(11-9-17)23-24-19-12-13-20(15(2)14-19)25-26-21-16(3)27-28(4)22(21)29;1-14(2)13-19-20(21(28)27(4)26-19)25-24-18-11-9-17(10-12-18)23-22-16-7-5-15(3)6-8-16;1-5-18-19(20(28)27(26-18)21(2,3)4)25-24-17-13-11-16(12-14-17)23-22-15-9-7-6-8-10-15/h15-21,34H,5-14H2,1-4H3;12-17,23,32H,5-11H2,1-4H3;8-14,27H,5-7H2,1-4H3;5-12,14,26H,13H2,1-4H3;6-14,26H,5H2,1-4H3/b32-30+,33-31+;29-28+,31-30+;24-23+,26-25+;2*23-22+,25-24+.

What are the key properties of 2-tert-butyl-5-ethyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2-cyclopentyl-5-methyl-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethyl-1H-pyrazol-3-one;4-[[4-[(3,4-dibutylphenyl)diazenyl]phenyl]diazenyl]-2-methyl-5-pentyl-1H-pyrazol-3-one;2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-5-(2-methylpropyl)-1H-pyrazol-3-one?

2-tert-butyl-5-ethyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2-cyclopentyl-5-methyl-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethyl-1H-pyrazol-3-one;4-[[4-[(3,4-dibutylphenyl)diazenyl]phenyl]diazenyl]-2-methyl-5-pentyl-1H-pyrazol-3-one;2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-5-(2-methylpropyl)-1H-pyrazol-3-one has a molecular weight of 2090.71 g/mol, XLogP of 36.23, 40 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-ethyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2-cyclopentyl-5-methyl-1H-pyrazol-3-one;4-[[4-[(4-butylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethyl-1H-pyrazol-3-one;4-[[4-[(3,4-dibutylphenyl)diazenyl]phenyl]diazenyl]-2-methyl-5-pentyl-1H-pyrazol-3-one;2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-5-(2-methylpropyl)-1H-pyrazol-3-one is sourced from PubChem (CID 162166322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).