2-[(5R,7S)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline

C22H15ClF3N7 — CID 136862555

About 2-[(5R,7S)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline

2-[(5R,7S)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 136862555) has the molecular formula C22H15ClF3N7 and a molecular weight of 469.86 g/mol. Its IUPAC name is 2-[(5R,7S)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

• Compound Name: 2-[(5R,7S)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline
• PubChem CID: 136862555
• Molecular Formula: C22H15ClF3N7
• Molecular Weight: 469.86 g/mol
• Exact Mass: 469.10
• IUPAC Name: 2-[(5R,7S)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline
• SMILES: FC(F)(F)[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2cc(-c3nc4c5ccccc5ncn4n3)nn21
• InChI: InChI=1S/C22H15ClF3N7/c23-13-7-5-12(6-8-13)16-9-18(22(24,25)26)33-19(28-16)10-17(30-33)20-29-21-14-3-1-2-4-15(14)27-11-32(21)31-20/h1-8,10-11,16,18,28H,9H2/t16-,18+/m1/s1
• InChIKey: HVCZNVWJFOGSFL-AEFFLSMTSA-N
• XLogP: 5.45
• TPSA: 72.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.86
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(5R,7S)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline?

The IUPAC name of 2-[(5R,7S)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline (CID 136862555) is 2-[(5R,7S)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline.

What is the SMILES notation for 2-[(5R,7S)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline?

The canonical SMILES for 2-[(5R,7S)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline is FC(F)(F)[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2cc(-c3nc4c5ccccc5ncn4n3)nn21.

What is the InChIKey of 2-[(5R,7S)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline?

The InChIKey is HVCZNVWJFOGSFL-AEFFLSMTSA-N. The full InChI is InChI=1S/C22H15ClF3N7/c23-13-7-5-12(6-8-13)16-9-18(22(24,25)26)33-19(28-16)10-17(30-33)20-29-21-14-3-1-2-4-15(14)27-11-32(21)31-20/h1-8,10-11,16,18,28H,9H2/t16-,18+/m1/s1.

What are the key properties of 2-[(5R,7S)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline?

2-[(5R,7S)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 469.86 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5R,7S)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 136862555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).