2,7-dimethyl-3-(3-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

C26H28N4O2 — CID 20943415

About 2,7-dimethyl-3-(3-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

2,7-dimethyl-3-(3-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 20943415) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2,7-dimethyl-3-(3-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2,7-dimethyl-3-(3-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 20943415
• Molecular Formula: C26H28N4O2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.22
• IUPAC Name: 2,7-dimethyl-3-(3-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: Cc1cccc(-c2c(C)nn3c(C)c(C(=O)NCc4ccc(OC(C)C)cc4)cnc23)c1
• InChI: InChI=1S/C26H28N4O2/c1-16(2)32-22-11-9-20(10-12-22)14-28-26(31)23-15-27-25-24(18(4)29-30(25)19(23)5)21-8-6-7-17(3)13-21/h6-13,15-16H,14H2,1-5H3,(H,28,31)
• InChIKey: QCQYXKATXSQHNC-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3-(3-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 2,7-dimethyl-3-(3-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 20943415) is 2,7-dimethyl-3-(3-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 2,7-dimethyl-3-(3-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 2,7-dimethyl-3-(3-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cccc(-c2c(C)nn3c(C)c(C(=O)NCc4ccc(OC(C)C)cc4)cnc23)c1.

What is the InChIKey of 2,7-dimethyl-3-(3-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is QCQYXKATXSQHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-16(2)32-22-11-9-20(10-12-22)14-28-26(31)23-15-27-25-24(18(4)29-30(25)19(23)5)21-8-6-7-17(3)13-21/h6-13,15-16H,14H2,1-5H3,(H,28,31).

What are the key properties of 2,7-dimethyl-3-(3-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?

2,7-dimethyl-3-(3-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-dimethyl-3-(3-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20943415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).