N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide

About N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (PubChem CID 20928837) has the molecular formula C24H33FN6O2 and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.

Molecular Properties

Compound Name	N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
PubChem CID	20928837
Molecular Formula	C24H33FN6O2
Molecular Weight	456.57 g/mol
Exact Mass	456.26
IUPAC Name	N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILES	CCC(C(=O)NCCCN1CCN(c2ccc(F)cc2)CC1)N1C(=O)CCn2nc(C)cc21
InChI	InChI=1S/C24H33FN6O2/c1-3-21(31-22-17-18(2)27-30(22)12-9-23(31)32)24(33)26-10-4-11-28-13-15-29(16-14-28)20-7-5-19(25)6-8-20/h5-8,17,21H,3-4,9-16H2,1-2H3,(H,26,33)
InChIKey	RIDSHBGOGRRKHT-UHFFFAOYSA-N
XLogP	2.17
TPSA	73.71 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.57
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?

The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (CID 20928837) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.

What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?

The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is CCC(C(=O)NCCCN1CCN(c2ccc(F)cc2)CC1)N1C(=O)CCn2nc(C)cc21.

What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?

The InChIKey is RIDSHBGOGRRKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN6O2/c1-3-21(31-22-17-18(2)27-30(22)12-9-23(31)32)24(33)26-10-4-11-28-13-15-29(16-14-28)20-7-5-19(25)6-8-20/h5-8,17,21H,3-4,9-16H2,1-2H3,(H,26,33).

What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide has a molecular weight of 456.57 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is sourced from PubChem (CID 20928837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).