(7R)-N-(5-chloro-2-methylphenyl)-7-(2-chlorophenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C28H24Cl2N4O — CID 136887876

About (7R)-N-(5-chloro-2-methylphenyl)-7-(2-chlorophenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(7R)-N-(5-chloro-2-methylphenyl)-7-(2-chlorophenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136887876) has the molecular formula C28H24Cl2N4O and a molecular weight of 503.43 g/mol. Its IUPAC name is (7R)-N-(5-chloro-2-methylphenyl)-7-(2-chlorophenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: (7R)-N-(5-chloro-2-methylphenyl)-7-(2-chlorophenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 136887876
• Molecular Formula: C28H24Cl2N4O
• Molecular Weight: 503.43 g/mol
• Exact Mass: 502.13
• IUPAC Name: (7R)-N-(5-chloro-2-methylphenyl)-7-(2-chlorophenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCc1ccc(C2=C[C@H](c3ccccc3Cl)n3ncc(C(=O)Nc4cc(Cl)ccc4C)c3N2)cc1
• InChI: InChI=1S/C28H24Cl2N4O/c1-3-18-9-11-19(12-10-18)25-15-26(21-6-4-5-7-23(21)30)34-27(32-25)22(16-31-34)28(35)33-24-14-20(29)13-8-17(24)2/h4-16,26,32H,3H2,1-2H3,(H,33,35)/t26-/m1/s1
• InChIKey: RGNIPLIWJJNANE-AREMUKBSSA-N
• XLogP: 7.37
• TPSA: 58.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.43
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (7R)-N-(5-chloro-2-methylphenyl)-7-(2-chlorophenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136887876) is (7R)-N-(5-chloro-2-methylphenyl)-7-(2-chlorophenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for (7R)-N-(5-chloro-2-methylphenyl)-7-(2-chlorophenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCc1ccc(C2=C[C@H](c3ccccc3Cl)n3ncc(C(=O)Nc4cc(Cl)ccc4C)c3N2)cc1.

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

The InChIKey is RGNIPLIWJJNANE-AREMUKBSSA-N. The full InChI is InChI=1S/C28H24Cl2N4O/c1-3-18-9-11-19(12-10-18)25-15-26(21-6-4-5-7-23(21)30)34-27(32-25)22(16-31-34)28(35)33-24-14-20(29)13-8-17(24)2/h4-16,26,32H,3H2,1-2H3,(H,33,35)/t26-/m1/s1.

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

(7R)-N-(5-chloro-2-methylphenyl)-7-(2-chlorophenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 503.43 g/mol, XLogP of 7.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-N-(5-chloro-2-methylphenyl)-7-(2-chlorophenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136887876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).