3-methyl-1-[7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]butan-1-one

C17H28N4O — CID 131678513

About 3-methyl-1-[7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]butan-1-one

3-methyl-1-[7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]butan-1-one (PubChem CID 131678513) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-methyl-1-[7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]butan-1-one.

Molecular Properties

• Compound Name: 3-methyl-1-[7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]butan-1-one
• PubChem CID: 131678513
• Molecular Formula: C17H28N4O
• Molecular Weight: 304.44 g/mol
• Exact Mass: 304.23
• IUPAC Name: 3-methyl-1-[7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]butan-1-one
• SMILES: CC(C)CC(=O)N1Cc2ccnn2C(CCN2CCCC2)C1
• InChI: InChI=1S/C17H28N4O/c1-14(2)11-17(22)20-12-15-5-7-18-21(15)16(13-20)6-10-19-8-3-4-9-19/h5,7,14,16H,3-4,6,8-13H2,1-2H3
• InChIKey: UKPBVUWLYHCKTH-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 41.37 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.44
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]butan-1-one?

The IUPAC name of 3-methyl-1-[7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]butan-1-one (CID 131678513) is 3-methyl-1-[7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]butan-1-one.

What is the SMILES notation for 3-methyl-1-[7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]butan-1-one?

The canonical SMILES for 3-methyl-1-[7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]butan-1-one is CC(C)CC(=O)N1Cc2ccnn2C(CCN2CCCC2)C1.

What is the InChIKey of 3-methyl-1-[7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]butan-1-one?

The InChIKey is UKPBVUWLYHCKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14(2)11-17(22)20-12-15-5-7-18-21(15)16(13-20)6-10-19-8-3-4-9-19/h5,7,14,16H,3-4,6,8-13H2,1-2H3.

What are the key properties of 3-methyl-1-[7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]butan-1-one?

3-methyl-1-[7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]butan-1-one has a molecular weight of 304.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1-[7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]butan-1-one is sourced from PubChem (CID 131678513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).