5-(4-bromophenyl)-7-(2-fluorophenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H20BrFN4O — CID 135551176

About 5-(4-bromophenyl)-7-(2-fluorophenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(4-bromophenyl)-7-(2-fluorophenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135551176) has the molecular formula C26H20BrFN4O and a molecular weight of 503.38 g/mol. Its IUPAC name is 5-(4-bromophenyl)-7-(2-fluorophenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-bromophenyl)-7-(2-fluorophenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 135551176
• Molecular Formula: C26H20BrFN4O
• Molecular Weight: 503.38 g/mol
• Exact Mass: 502.08
• IUPAC Name: 5-(4-bromophenyl)-7-(2-fluorophenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cccc(NC(=O)c2cnn3c2NC(c2ccc(Br)cc2)=CC3c2ccccc2F)c1
• InChI: InChI=1S/C26H20BrFN4O/c1-16-5-4-6-19(13-16)30-26(33)21-15-29-32-24(20-7-2-3-8-22(20)28)14-23(31-25(21)32)17-9-11-18(27)12-10-17/h2-15,24,31H,1H3,(H,30,33)
• InChIKey: XHZCYJOKSAAYMI-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 58.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.38
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-7-(2-fluorophenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-(4-bromophenyl)-7-(2-fluorophenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135551176) is 5-(4-bromophenyl)-7-(2-fluorophenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-(4-bromophenyl)-7-(2-fluorophenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-(4-bromophenyl)-7-(2-fluorophenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cccc(NC(=O)c2cnn3c2NC(c2ccc(Br)cc2)=CC3c2ccccc2F)c1.

What is the InChIKey of 5-(4-bromophenyl)-7-(2-fluorophenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is XHZCYJOKSAAYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BrFN4O/c1-16-5-4-6-19(13-16)30-26(33)21-15-29-32-24(20-7-2-3-8-22(20)28)14-23(31-25(21)32)17-9-11-18(27)12-10-17/h2-15,24,31H,1H3,(H,30,33).

What are the key properties of 5-(4-bromophenyl)-7-(2-fluorophenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-(4-bromophenyl)-7-(2-fluorophenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 503.38 g/mol, XLogP of 6.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-bromophenyl)-7-(2-fluorophenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135551176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).