(7R)-5-(3-methoxyphenyl)-N-(4-methylphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H24N4O2 — CID 136680193

About (7R)-5-(3-methoxyphenyl)-N-(4-methylphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(7R)-5-(3-methoxyphenyl)-N-(4-methylphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136680193) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is (7R)-5-(3-methoxyphenyl)-N-(4-methylphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: (7R)-5-(3-methoxyphenyl)-N-(4-methylphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 136680193
• Molecular Formula: C27H24N4O2
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.19
• IUPAC Name: (7R)-5-(3-methoxyphenyl)-N-(4-methylphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1cccc(C2=C[C@H](c3ccccc3)n3ncc(C(=O)Nc4ccc(C)cc4)c3N2)c1
• InChI: InChI=1S/C27H24N4O2/c1-18-11-13-21(14-12-18)29-27(32)23-17-28-31-25(19-7-4-3-5-8-19)16-24(30-26(23)31)20-9-6-10-22(15-20)33-2/h3-17,25,30H,1-2H3,(H,29,32)/t25-/m1/s1
• InChIKey: DGMUNGAWIOBVLG-RUZDIDTESA-N
• XLogP: 5.51
• TPSA: 68.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7R)-5-(3-methoxyphenyl)-N-(4-methylphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of (7R)-5-(3-methoxyphenyl)-N-(4-methylphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136680193) is (7R)-5-(3-methoxyphenyl)-N-(4-methylphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for (7R)-5-(3-methoxyphenyl)-N-(4-methylphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for (7R)-5-(3-methoxyphenyl)-N-(4-methylphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cccc(C2=C[C@H](c3ccccc3)n3ncc(C(=O)Nc4ccc(C)cc4)c3N2)c1.

What is the InChIKey of (7R)-5-(3-methoxyphenyl)-N-(4-methylphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is DGMUNGAWIOBVLG-RUZDIDTESA-N. The full InChI is InChI=1S/C27H24N4O2/c1-18-11-13-21(14-12-18)29-27(32)23-17-28-31-25(19-7-4-3-5-8-19)16-24(30-26(23)31)20-9-6-10-22(15-20)33-2/h3-17,25,30H,1-2H3,(H,29,32)/t25-/m1/s1.

What are the key properties of (7R)-5-(3-methoxyphenyl)-N-(4-methylphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

(7R)-5-(3-methoxyphenyl)-N-(4-methylphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-5-(3-methoxyphenyl)-N-(4-methylphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136680193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).