N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide

C20H27N5O2 — CID 121499645

About N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide

N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide (PubChem CID 121499645) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide.

Molecular Properties

• Compound Name: N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
• PubChem CID: 121499645
• Molecular Formula: C20H27N5O2
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.22
• IUPAC Name: N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
• SMILES: CCC(=O)NCc1cc2n(n1)CCN(CC(=O)NCCc1ccccc1)C2
• InChI: InChI=1S/C20H27N5O2/c1-2-19(26)22-13-17-12-18-14-24(10-11-25(18)23-17)15-20(27)21-9-8-16-6-4-3-5-7-16/h3-7,12H,2,8-11,13-15H2,1H3,(H,21,27)(H,22,26)
• InChIKey: XGZUDGUZXRBPPU-UHFFFAOYSA-N
• XLogP: 1.08
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?

The IUPAC name of N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide (CID 121499645) is N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide.

What is the SMILES notation for N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?

The canonical SMILES for N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide is CCC(=O)NCc1cc2n(n1)CCN(CC(=O)NCCc1ccccc1)C2.

What is the InChIKey of N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?

The InChIKey is XGZUDGUZXRBPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-2-19(26)22-13-17-12-18-14-24(10-11-25(18)23-17)15-20(27)21-9-8-16-6-4-3-5-7-16/h3-7,12H,2,8-11,13-15H2,1H3,(H,21,27)(H,22,26).

What are the key properties of N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?

N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide has a molecular weight of 369.47 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide is sourced from PubChem (CID 121499645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).