4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide

C23H26N8O2 — CID 19336915

About 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide

4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide (PubChem CID 19336915) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
• PubChem CID: 19336915
• Molecular Formula: C23H26N8O2
• Molecular Weight: 446.52 g/mol
• Exact Mass: 446.22
• IUPAC Name: 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
• SMILES: Cc1cc(C)n(Cc2ccc(C(=O)Nc3cnn(C)c3C(=O)NCc3cnn(C)c3)cc2)n1
• InChI: InChI=1S/C23H26N8O2/c1-15-9-16(2)31(28-15)14-17-5-7-19(8-6-17)22(32)27-20-12-26-30(4)21(20)23(33)24-10-18-11-25-29(3)13-18/h5-9,11-13H,10,14H2,1-4H3,(H,24,33)(H,27,32)
• InChIKey: YIPFUZLTECKLPT-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 111.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.52
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?

The IUPAC name of 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide (CID 19336915) is 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide.

What is the SMILES notation for 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?

The canonical SMILES for 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3cnn(C)c3C(=O)NCc3cnn(C)c3)cc2)n1.

What is the InChIKey of 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?

The InChIKey is YIPFUZLTECKLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-15-9-16(2)31(28-15)14-17-5-7-19(8-6-17)22(32)27-20-12-26-30(4)21(20)23(33)24-10-18-11-25-29(3)13-18/h5-9,11-13H,10,14H2,1-4H3,(H,24,33)(H,27,32).

What are the key properties of 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?

4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 19336915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).