N-[(2-chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H20Cl2N4O — CID 5220894

About N-[(2-chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2-chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 5220894) has the molecular formula C23H20Cl2N4O and a molecular weight of 439.35 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 5220894
• Molecular Formula: C23H20Cl2N4O
• Molecular Weight: 439.35 g/mol
• Exact Mass: 438.10
• IUPAC Name: N-[(2-chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nc2c(C(=O)NCc3ccccc3Cl)cnn2c(C)c1Cc1cccc(Cl)c1
• InChI: InChI=1S/C23H20Cl2N4O/c1-14-19(11-16-6-5-8-18(24)10-16)15(2)29-22(28-14)20(13-27-29)23(30)26-12-17-7-3-4-9-21(17)25/h3-10,13H,11-12H2,1-2H3,(H,26,30)
• InChIKey: DCUNMEUJBZKKCV-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.35
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 5220894) is N-[(2-chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NCc3ccccc3Cl)cnn2c(C)c1Cc1cccc(Cl)c1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is DCUNMEUJBZKKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O/c1-14-19(11-16-6-5-8-18(24)10-16)15(2)29-22(28-14)20(13-27-29)23(30)26-12-17-7-3-4-9-21(17)25/h3-10,13H,11-12H2,1-2H3,(H,26,30).

What are the key properties of N-[(2-chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(2-chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 439.35 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 5220894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).