7-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C23H22N8O — CID 19466631

About 7-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

7-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19466631) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is 7-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 7-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19466631
• Molecular Formula: C23H22N8O
• Molecular Weight: 426.48 g/mol
• Exact Mass: 426.19
• IUPAC Name: 7-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1cccc(Cn2ccc(NC(=O)c3cc4nccc(-c5cnn(C)c5C)n4n3)n2)c1
• InChI: InChI=1S/C23H22N8O/c1-15-5-4-6-17(11-15)14-30-10-8-21(28-30)26-23(32)19-12-22-24-9-7-20(31(22)27-19)18-13-25-29(3)16(18)2/h4-13H,14H2,1-3H3,(H,26,28,32)
• InChIKey: ICEVXARYRQFQAR-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 94.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.48
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 7-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19466631) is 7-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 7-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 7-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cccc(Cn2ccc(NC(=O)c3cc4nccc(-c5cnn(C)c5C)n4n3)n2)c1.

What is the InChIKey of 7-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is ICEVXARYRQFQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c1-15-5-4-6-17(11-15)14-30-10-8-21(28-30)26-23(32)19-12-22-24-9-7-20(31(22)27-19)18-13-25-29(3)16(18)2/h4-13H,14H2,1-3H3,(H,26,28,32).

What are the key properties of 7-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

7-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19466631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).