5-(4-methylphenyl)-4-[[1-[(2-methylphenyl)methyl]indol-3-yl]-[3-(4-methylphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methyl]-1,2-dihydropyrazol-3-one

C37H33N5O2 — CID 126372940

About 5-(4-methylphenyl)-4-[[1-[(2-methylphenyl)methyl]indol-3-yl]-[3-(4-methylphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methyl]-1,2-dihydropyrazol-3-one

5-(4-methylphenyl)-4-[[1-[(2-methylphenyl)methyl]indol-3-yl]-[3-(4-methylphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methyl]-1,2-dihydropyrazol-3-one (PubChem CID 126372940) has the molecular formula C37H33N5O2 and a molecular weight of 579.70 g/mol. Its IUPAC name is 5-(4-methylphenyl)-4-[[1-[(2-methylphenyl)methyl]indol-3-yl]-[3-(4-methylphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

• Compound Name: 5-(4-methylphenyl)-4-[[1-[(2-methylphenyl)methyl]indol-3-yl]-[3-(4-methylphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methyl]-1,2-dihydropyrazol-3-one
• PubChem CID: 126372940
• Molecular Formula: C37H33N5O2
• Molecular Weight: 579.70 g/mol
• Exact Mass: 579.26
• IUPAC Name: 5-(4-methylphenyl)-4-[[1-[(2-methylphenyl)methyl]indol-3-yl]-[3-(4-methylphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methyl]-1,2-dihydropyrazol-3-one
• SMILES: Cc1ccc(-c2[nH][nH]c(=O)c2C(c2c(-c3ccc(C)cc3)[nH][nH]c2=O)c2cn(Cc3ccccc3C)c3ccccc23)cc1
• InChI: InChI=1S/C37H33N5O2/c1-22-12-16-25(17-13-22)34-32(36(43)40-38-34)31(33-35(39-41-37(33)44)26-18-14-23(2)15-19-26)29-21-42(30-11-7-6-10-28(29)30)20-27-9-5-4-8-24(27)3/h4-19,21,31H,20H2,1-3H3,(H2,38,40,43)(H2,39,41,44)
• InChIKey: RHNLXUODDDCZKL-UHFFFAOYSA-N
• XLogP: 7.16
• TPSA: 102.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.70
LogP ≤ 5	7.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-4-[[1-[(2-methylphenyl)methyl]indol-3-yl]-[3-(4-methylphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methyl]-1,2-dihydropyrazol-3-one?

The IUPAC name of 5-(4-methylphenyl)-4-[[1-[(2-methylphenyl)methyl]indol-3-yl]-[3-(4-methylphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methyl]-1,2-dihydropyrazol-3-one (CID 126372940) is 5-(4-methylphenyl)-4-[[1-[(2-methylphenyl)methyl]indol-3-yl]-[3-(4-methylphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methyl]-1,2-dihydropyrazol-3-one.

What is the SMILES notation for 5-(4-methylphenyl)-4-[[1-[(2-methylphenyl)methyl]indol-3-yl]-[3-(4-methylphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methyl]-1,2-dihydropyrazol-3-one?

The canonical SMILES for 5-(4-methylphenyl)-4-[[1-[(2-methylphenyl)methyl]indol-3-yl]-[3-(4-methylphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methyl]-1,2-dihydropyrazol-3-one is Cc1ccc(-c2[nH][nH]c(=O)c2C(c2c(-c3ccc(C)cc3)[nH][nH]c2=O)c2cn(Cc3ccccc3C)c3ccccc23)cc1.

What is the InChIKey of 5-(4-methylphenyl)-4-[[1-[(2-methylphenyl)methyl]indol-3-yl]-[3-(4-methylphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methyl]-1,2-dihydropyrazol-3-one?

The InChIKey is RHNLXUODDDCZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N5O2/c1-22-12-16-25(17-13-22)34-32(36(43)40-38-34)31(33-35(39-41-37(33)44)26-18-14-23(2)15-19-26)29-21-42(30-11-7-6-10-28(29)30)20-27-9-5-4-8-24(27)3/h4-19,21,31H,20H2,1-3H3,(H2,38,40,43)(H2,39,41,44).

What are the key properties of 5-(4-methylphenyl)-4-[[1-[(2-methylphenyl)methyl]indol-3-yl]-[3-(4-methylphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methyl]-1,2-dihydropyrazol-3-one?

5-(4-methylphenyl)-4-[[1-[(2-methylphenyl)methyl]indol-3-yl]-[3-(4-methylphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methyl]-1,2-dihydropyrazol-3-one has a molecular weight of 579.70 g/mol, XLogP of 7.16, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methylphenyl)-4-[[1-[(2-methylphenyl)methyl]indol-3-yl]-[3-(4-methylphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 126372940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).