1-(cyclopropanecarbonyl)-7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-one

C28H26Cl2FN5O3 — CID 20636040

About 1-(cyclopropanecarbonyl)-7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-one

1-(cyclopropanecarbonyl)-7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-one (PubChem CID 20636040) has the molecular formula C28H26Cl2FN5O3 and a molecular weight of 570.45 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-one.

Molecular Properties

• Compound Name: 1-(cyclopropanecarbonyl)-7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-one
• PubChem CID: 20636040
• Molecular Formula: C28H26Cl2FN5O3
• Molecular Weight: 570.45 g/mol
• Exact Mass: 569.14
• IUPAC Name: 1-(cyclopropanecarbonyl)-7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-one
• SMILES: CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2ccc(Cl)c(Cl)c2)n2c(cc(=O)n2C(=O)C2CC2)N1
• InChI: InChI=1S/C28H26Cl2FN5O3/c1-16-25(28(39)34-12-10-33(11-13-34)20-7-5-19(31)6-8-20)26(18-4-9-21(29)22(30)14-18)35-23(32-16)15-24(37)36(35)27(38)17-2-3-17/h4-9,14-15,17,26,32H,2-3,10-13H2,1H3
• InChIKey: MMSLEEQONNTURD-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 79.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.45
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-one?

The IUPAC name of 1-(cyclopropanecarbonyl)-7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-one (CID 20636040) is 1-(cyclopropanecarbonyl)-7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-one.

What is the SMILES notation for 1-(cyclopropanecarbonyl)-7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-one?

The canonical SMILES for 1-(cyclopropanecarbonyl)-7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-one is CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2ccc(Cl)c(Cl)c2)n2c(cc(=O)n2C(=O)C2CC2)N1.

What is the InChIKey of 1-(cyclopropanecarbonyl)-7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-one?

The InChIKey is MMSLEEQONNTURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2FN5O3/c1-16-25(28(39)34-12-10-33(11-13-34)20-7-5-19(31)6-8-20)26(18-4-9-21(29)22(30)14-18)35-23(32-16)15-24(37)36(35)27(38)17-2-3-17/h4-9,14-15,17,26,32H,2-3,10-13H2,1H3.

What are the key properties of 1-(cyclopropanecarbonyl)-7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-one?

1-(cyclopropanecarbonyl)-7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-one has a molecular weight of 570.45 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropanecarbonyl)-7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-one is sourced from PubChem (CID 20636040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).