[7-(2,3-dichlorophenyl)-2-fluoro-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C24H21Cl2F2N5O — CID 90699362

About [7-(2,3-dichlorophenyl)-2-fluoro-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[7-(2,3-dichlorophenyl)-2-fluoro-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 90699362) has the molecular formula C24H21Cl2F2N5O and a molecular weight of 504.37 g/mol. Its IUPAC name is [7-(2,3-dichlorophenyl)-2-fluoro-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [7-(2,3-dichlorophenyl)-2-fluoro-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
• PubChem CID: 90699362
• Molecular Formula: C24H21Cl2F2N5O
• Molecular Weight: 504.37 g/mol
• Exact Mass: 503.11
• IUPAC Name: [7-(2,3-dichlorophenyl)-2-fluoro-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
• SMILES: CC1=Nc2cc(F)nn2C(c2cccc(Cl)c2Cl)C1C(=O)N1CCN(c2ccc(F)cc2)CC1
• InChI: InChI=1S/C24H21Cl2F2N5O/c1-14-21(24(34)32-11-9-31(10-12-32)16-7-5-15(27)6-8-16)23(17-3-2-4-18(25)22(17)26)33-20(29-14)13-19(28)30-33/h2-8,13,21,23H,9-12H2,1H3
• InChIKey: HDTAIXVSIYFSPQ-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 53.73 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.37
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [7-(2,3-dichlorophenyl)-2-fluoro-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?

The IUPAC name of [7-(2,3-dichlorophenyl)-2-fluoro-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 90699362) is [7-(2,3-dichlorophenyl)-2-fluoro-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

What is the SMILES notation for [7-(2,3-dichlorophenyl)-2-fluoro-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?

The canonical SMILES for [7-(2,3-dichlorophenyl)-2-fluoro-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is CC1=Nc2cc(F)nn2C(c2cccc(Cl)c2Cl)C1C(=O)N1CCN(c2ccc(F)cc2)CC1.

What is the InChIKey of [7-(2,3-dichlorophenyl)-2-fluoro-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?

The InChIKey is HDTAIXVSIYFSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2F2N5O/c1-14-21(24(34)32-11-9-31(10-12-32)16-7-5-15(27)6-8-16)23(17-3-2-4-18(25)22(17)26)33-20(29-14)13-19(28)30-33/h2-8,13,21,23H,9-12H2,1H3.

What are the key properties of [7-(2,3-dichlorophenyl)-2-fluoro-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?

[7-(2,3-dichlorophenyl)-2-fluoro-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 504.37 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(2,3-dichlorophenyl)-2-fluoro-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 90699362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).