(7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine

C29H22ClN3 — CID 41352592

About (7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine

(7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 41352592) has the molecular formula C29H22ClN3 and a molecular weight of 447.97 g/mol. Its IUPAC name is (7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: (7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
• PubChem CID: 41352592
• Molecular Formula: C29H22ClN3
• Molecular Weight: 447.97 g/mol
• Exact Mass: 447.15
• IUPAC Name: (7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
• SMILES: Cc1nn2c(c1-c1ccc(Cl)cc1)N=C(c1ccc3ccccc3c1)C[C@H]2c1ccccc1
• InChI: InChI=1S/C29H22ClN3/c1-19-28(22-13-15-25(30)16-14-22)29-31-26(24-12-11-20-7-5-6-10-23(20)17-24)18-27(33(29)32-19)21-8-3-2-4-9-21/h2-17,27H,18H2,1H3/t27-/m0/s1
• InChIKey: YJRLGWRRPQLLGY-MHZLTWQESA-N
• XLogP: 7.78
• TPSA: 30.18 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.97
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?

The IUPAC name of (7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 41352592) is (7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.

What is the SMILES notation for (7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?

The canonical SMILES for (7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is Cc1nn2c(c1-c1ccc(Cl)cc1)N=C(c1ccc3ccccc3c1)C[C@H]2c1ccccc1.

What is the InChIKey of (7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?

The InChIKey is YJRLGWRRPQLLGY-MHZLTWQESA-N. The full InChI is InChI=1S/C29H22ClN3/c1-19-28(22-13-15-25(30)16-14-22)29-31-26(24-12-11-20-7-5-6-10-23(20)17-24)18-27(33(29)32-19)21-8-3-2-4-9-21/h2-17,27H,18H2,1H3/t27-/m0/s1.

What are the key properties of (7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?

(7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 447.97 g/mol, XLogP of 7.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 41352592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).