N-[[4-(dimethylamino)phenyl]methyl]-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide

C24H30N6O2 — CID 46282494

About N-[[4-(dimethylamino)phenyl]methyl]-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide

N-[[4-(dimethylamino)phenyl]methyl]-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide (PubChem CID 46282494) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide.

Molecular Properties

• Compound Name: N-[[4-(dimethylamino)phenyl]methyl]-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide
• PubChem CID: 46282494
• Molecular Formula: C24H30N6O2
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.24
• IUPAC Name: N-[[4-(dimethylamino)phenyl]methyl]-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide
• SMILES: CN(C)c1ccc(CNC(=O)CCC(=O)N2CCCn3nc(-c4cccn4C)cc32)cc1
• InChI: InChI=1S/C24H30N6O2/c1-27(2)19-9-7-18(8-10-19)17-25-22(31)11-12-24(32)29-14-5-15-30-23(29)16-20(26-30)21-6-4-13-28(21)3/h4,6-10,13,16H,5,11-12,14-15,17H2,1-3H3,(H,25,31)
• InChIKey: YVNBLPSPIMCUPZ-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 75.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide?

The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide (CID 46282494) is N-[[4-(dimethylamino)phenyl]methyl]-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide.

What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide?

The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide is CN(C)c1ccc(CNC(=O)CCC(=O)N2CCCn3nc(-c4cccn4C)cc32)cc1.

What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide?

The InChIKey is YVNBLPSPIMCUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-27(2)19-9-7-18(8-10-19)17-25-22(31)11-12-24(32)29-14-5-15-30-23(29)16-20(26-30)21-6-4-13-28(21)3/h4,6-10,13,16H,5,11-12,14-15,17H2,1-3H3,(H,25,31).

What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide?

N-[[4-(dimethylamino)phenyl]methyl]-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide has a molecular weight of 434.54 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(dimethylamino)phenyl]methyl]-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide is sourced from PubChem (CID 46282494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).