7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,5-trimethyl-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide

C27H27Cl2FN6O3 — CID 20635753

About 7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,5-trimethyl-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide

7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,5-trimethyl-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide (PubChem CID 20635753) has the molecular formula C27H27Cl2FN6O3 and a molecular weight of 573.46 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,5-trimethyl-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide.

Molecular Properties

• Compound Name: 7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,5-trimethyl-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide
• PubChem CID: 20635753
• Molecular Formula: C27H27Cl2FN6O3
• Molecular Weight: 573.46 g/mol
• Exact Mass: 572.15
• IUPAC Name: 7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,5-trimethyl-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide
• SMILES: CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2ccc(Cl)c(Cl)c2)n2c(cc(=O)n2C(=O)N(C)C)N1
• InChI: InChI=1S/C27H27Cl2FN6O3/c1-16-24(26(38)34-12-10-33(11-13-34)19-7-5-18(30)6-8-19)25(17-4-9-20(28)21(29)14-17)35-22(31-16)15-23(37)36(35)27(39)32(2)3/h4-9,14-15,25,31H,10-13H2,1-3H3
• InChIKey: HCNZIIBAWNJPSV-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 82.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.46
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,5-trimethyl-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide (CID 20635753) is 7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,5-trimethyl-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide.

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

The canonical SMILES for 7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,5-trimethyl-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide is CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2ccc(Cl)c(Cl)c2)n2c(cc(=O)n2C(=O)N(C)C)N1.

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

The InChIKey is HCNZIIBAWNJPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2FN6O3/c1-16-24(26(38)34-12-10-33(11-13-34)19-7-5-18(30)6-8-19)25(17-4-9-20(28)21(29)14-17)35-22(31-16)15-23(37)36(35)27(39)32(2)3/h4-9,14-15,25,31H,10-13H2,1-3H3.

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

7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,5-trimethyl-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide has a molecular weight of 573.46 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,5-trimethyl-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide is sourced from PubChem (CID 20635753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).