7-(2,3-dichlorophenyl)-5-methyl-2-oxo-6-(4-phenylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide

C25H24Cl2N6O3 — CID 91463826

About 7-(2,3-dichlorophenyl)-5-methyl-2-oxo-6-(4-phenylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide

7-(2,3-dichlorophenyl)-5-methyl-2-oxo-6-(4-phenylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide (PubChem CID 91463826) has the molecular formula C25H24Cl2N6O3 and a molecular weight of 527.41 g/mol. Its IUPAC name is 7-(2,3-dichlorophenyl)-5-methyl-2-oxo-6-(4-phenylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide.

Molecular Properties

• Compound Name: 7-(2,3-dichlorophenyl)-5-methyl-2-oxo-6-(4-phenylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide
• PubChem CID: 91463826
• Molecular Formula: C25H24Cl2N6O3
• Molecular Weight: 527.41 g/mol
• Exact Mass: 526.13
• IUPAC Name: 7-(2,3-dichlorophenyl)-5-methyl-2-oxo-6-(4-phenylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide
• SMILES: CC1=Nc2cc(=O)n(C(N)=O)n2C(c2cccc(Cl)c2Cl)C1C(=O)N1CCN(c2ccccc2)CC1
• InChI: InChI=1S/C25H24Cl2N6O3/c1-15-21(24(35)31-12-10-30(11-13-31)16-6-3-2-4-7-16)23(17-8-5-9-18(26)22(17)27)32-19(29-15)14-20(34)33(32)25(28)36/h2-9,14,21,23H,10-13H2,1H3,(H2,28,36)
• InChIKey: QOHJPIBOPLXMCX-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 105.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.41
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dichlorophenyl)-5-methyl-2-oxo-6-(4-phenylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide?

The IUPAC name of 7-(2,3-dichlorophenyl)-5-methyl-2-oxo-6-(4-phenylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide (CID 91463826) is 7-(2,3-dichlorophenyl)-5-methyl-2-oxo-6-(4-phenylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide.

What is the SMILES notation for 7-(2,3-dichlorophenyl)-5-methyl-2-oxo-6-(4-phenylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide?

The canonical SMILES for 7-(2,3-dichlorophenyl)-5-methyl-2-oxo-6-(4-phenylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide is CC1=Nc2cc(=O)n(C(N)=O)n2C(c2cccc(Cl)c2Cl)C1C(=O)N1CCN(c2ccccc2)CC1.

What is the InChIKey of 7-(2,3-dichlorophenyl)-5-methyl-2-oxo-6-(4-phenylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide?

The InChIKey is QOHJPIBOPLXMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N6O3/c1-15-21(24(35)31-12-10-30(11-13-31)16-6-3-2-4-7-16)23(17-8-5-9-18(26)22(17)27)32-19(29-15)14-20(34)33(32)25(28)36/h2-9,14,21,23H,10-13H2,1H3,(H2,28,36).

What are the key properties of 7-(2,3-dichlorophenyl)-5-methyl-2-oxo-6-(4-phenylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide?

7-(2,3-dichlorophenyl)-5-methyl-2-oxo-6-(4-phenylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide has a molecular weight of 527.41 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2,3-dichlorophenyl)-5-methyl-2-oxo-6-(4-phenylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide is sourced from PubChem (CID 91463826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).