5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-3-methyl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C25H23N7O2 — CID 162686151

About 5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-3-methyl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-3-methyl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 162686151) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-3-methyl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-3-methyl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 162686151
• Molecular Formula: C25H23N7O2
• Molecular Weight: 453.51 g/mol
• Exact Mass: 453.19
• IUPAC Name: 5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-3-methyl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1c(C(=O)Nc2cccc(O)c2)nn2c(-c3cn[nH]c3)cc(N(C)Cc3ccccc3)nc12
• InChI: InChI=1S/C25H23N7O2/c1-16-23(25(34)28-19-9-6-10-20(33)11-19)30-32-21(18-13-26-27-14-18)12-22(29-24(16)32)31(2)15-17-7-4-3-5-8-17/h3-14,33H,15H2,1-2H3,(H,26,27)(H,28,34)
• InChIKey: ZJSXLNLUENYMBI-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 111.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.51
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-3-methyl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 162686151) is 5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-3-methyl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for 5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-3-methyl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1c(C(=O)Nc2cccc(O)c2)nn2c(-c3cn[nH]c3)cc(N(C)Cc3ccccc3)nc12.

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

The InChIKey is ZJSXLNLUENYMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-16-23(25(34)28-19-9-6-10-20(33)11-19)30-32-21(18-13-26-27-14-18)12-22(29-24(16)32)31(2)15-17-7-4-3-5-8-17/h3-14,33H,15H2,1-2H3,(H,26,27)(H,28,34).

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

5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-3-methyl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-3-methyl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 162686151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).