N-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide

C24H22ClFN4O — CID 20863172

About N-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide

N-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 20863172) has the molecular formula C24H22ClFN4O and a molecular weight of 436.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
• PubChem CID: 20863172
• Molecular Formula: C24H22ClFN4O
• Molecular Weight: 436.92 g/mol
• Exact Mass: 436.15
• IUPAC Name: N-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
• SMILES: Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCc1ccc(Cl)cc1
• InChI: InChI=1S/C24H22ClFN4O/c1-15-21(10-11-24(31)27-14-17-6-8-19(25)9-7-17)16(2)30-23(28-15)13-22(29-30)18-4-3-5-20(26)12-18/h3-9,12-13H,10-11,14H2,1-2H3,(H,27,31)
• InChIKey: FGCDTAUXPAAZLZ-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.92
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?

The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 20863172) is N-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide is Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCc1ccc(Cl)cc1.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?

The InChIKey is FGCDTAUXPAAZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O/c1-15-21(10-11-24(31)27-14-17-6-8-19(25)9-7-17)16(2)30-23(28-15)13-22(29-30)18-4-3-5-20(26)12-18/h3-9,12-13H,10-11,14H2,1-2H3,(H,27,31).

What are the key properties of N-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?

N-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 436.92 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 20863172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).