3-[[3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylic acid

C36H35N9O7 — CID 25241935

About 3-[[3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylic acid

3-[[3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylic acid (PubChem CID 25241935) has the molecular formula C36H35N9O7 and a molecular weight of 705.73 g/mol. Its IUPAC name is 3-[[3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 3-[[3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
• PubChem CID: 25241935
• Molecular Formula: C36H35N9O7
• Molecular Weight: 705.73 g/mol
• Exact Mass: 705.27
• IUPAC Name: 3-[[3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
• SMILES: COc1ccc(Cn2nc(NC(=O)c3cc(NC(=O)c4cc(N)nn4Cc4ccc(OC)cc4)nn3Cc3ccc(OC)cc3)cc2C(=O)O)cc1
• InChI: InChI=1S/C36H35N9O7/c1-50-25-10-4-22(5-11-25)19-43-28(16-31(37)40-43)34(46)38-32-17-29(44(41-32)20-23-6-12-26(51-2)13-7-23)35(47)39-33-18-30(36(48)49)45(42-33)21-24-8-14-27(52-3)15-9-24/h4-18H,19-21H2,1-3H3,(H2,37,40)(H,48,49)(H,38,41,46)(H,39,42,47)
• InChIKey: GDEQYROKHZRHNJ-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 202.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.73
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylic acid?

The IUPAC name of 3-[[3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylic acid (CID 25241935) is 3-[[3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylic acid.

What is the SMILES notation for 3-[[3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylic acid?

The canonical SMILES for 3-[[3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylic acid is COc1ccc(Cn2nc(NC(=O)c3cc(NC(=O)c4cc(N)nn4Cc4ccc(OC)cc4)nn3Cc3ccc(OC)cc3)cc2C(=O)O)cc1.

What is the InChIKey of 3-[[3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylic acid?

The InChIKey is GDEQYROKHZRHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N9O7/c1-50-25-10-4-22(5-11-25)19-43-28(16-31(37)40-43)34(46)38-32-17-29(44(41-32)20-23-6-12-26(51-2)13-7-23)35(47)39-33-18-30(36(48)49)45(42-33)21-24-8-14-27(52-3)15-9-24/h4-18H,19-21H2,1-3H3,(H2,37,40)(H,48,49)(H,38,41,46)(H,39,42,47).

What are the key properties of 3-[[3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylic acid?

3-[[3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylic acid has a molecular weight of 705.73 g/mol, XLogP of 4.23, 14 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 25241935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).