7-(4-methylphenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H22N6O — CID 19284738

About 7-(4-methylphenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(4-methylphenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19284738) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is 7-(4-methylphenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(4-methylphenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19284738
• Molecular Formula: C25H22N6O
• Molecular Weight: 422.49 g/mol
• Exact Mass: 422.19
• IUPAC Name: 7-(4-methylphenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1ccc(Cn2ccc(NC(=O)c3cnn4c(-c5ccc(C)cc5)ccnc34)n2)cc1
• InChI: InChI=1S/C25H22N6O/c1-17-3-7-19(8-4-17)16-30-14-12-23(29-30)28-25(32)21-15-27-31-22(11-13-26-24(21)31)20-9-5-18(2)6-10-20/h3-15H,16H2,1-2H3,(H,28,29,32)
• InChIKey: DUPRDVPPHYSFJB-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.49
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-(4-methylphenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19284738) is 7-(4-methylphenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-(4-methylphenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-(4-methylphenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(Cn2ccc(NC(=O)c3cnn4c(-c5ccc(C)cc5)ccnc34)n2)cc1.

What is the InChIKey of 7-(4-methylphenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is DUPRDVPPHYSFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c1-17-3-7-19(8-4-17)16-30-14-12-23(29-30)28-25(32)21-15-27-31-22(11-13-26-24(21)31)20-9-5-18(2)6-10-20/h3-15H,16H2,1-2H3,(H,28,29,32).

What are the key properties of 7-(4-methylphenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

7-(4-methylphenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-methylphenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19284738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).