N-[2-(dimethylamino)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide

C22H29N5O2 — CID 53332329

About N-[2-(dimethylamino)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide

N-[2-(dimethylamino)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide (PubChem CID 53332329) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide
• PubChem CID: 53332329
• Molecular Formula: C22H29N5O2
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.23
• IUPAC Name: N-[2-(dimethylamino)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide
• SMILES: CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCCN(C)C)ccn3n2)cc1
• InChI: InChI=1S/C22H29N5O2/c1-16(2)17-5-7-18(8-6-17)19-15-20-22(29)26(13-14-27(20)24-19)11-9-21(28)23-10-12-25(3)4/h5-8,13-16H,9-12H2,1-4H3,(H,23,28)
• InChIKey: MZIYXNQORVDPRQ-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 71.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide (CID 53332329) is N-[2-(dimethylamino)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide is CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCCN(C)C)ccn3n2)cc1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide?

The InChIKey is MZIYXNQORVDPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16(2)17-5-7-18(8-6-17)19-15-20-22(29)26(13-14-27(20)24-19)11-9-21(28)23-10-12-25(3)4/h5-8,13-16H,9-12H2,1-4H3,(H,23,28).

What are the key properties of N-[2-(dimethylamino)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide?

N-[2-(dimethylamino)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide has a molecular weight of 395.51 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide is sourced from PubChem (CID 53332329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).