1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazin-2-one

C23H29N9O — CID 121378566

About 1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazin-2-one

1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazin-2-one (PubChem CID 121378566) has the molecular formula C23H29N9O and a molecular weight of 447.55 g/mol. Its IUPAC name is 1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazin-2-one.

Molecular Properties

• Compound Name: 1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazin-2-one
• PubChem CID: 121378566
• Molecular Formula: C23H29N9O
• Molecular Weight: 447.55 g/mol
• Exact Mass: 447.25
• IUPAC Name: 1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazin-2-one
• SMILES: CCC(CC)n1cc(-c2nc(-c3cnn(CCN4CCNCC4=O)c3)cn3nccc23)cn1
• InChI: InChI=1S/C23H29N9O/c1-3-19(4-2)31-15-18(12-27-31)23-21-5-6-25-32(21)16-20(28-23)17-11-26-30(14-17)10-9-29-8-7-24-13-22(29)33/h5-6,11-12,14-16,19,24H,3-4,7-10,13H2,1-2H3
• InChIKey: KITCYDCXSZDXLF-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 98.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.55
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazin-2-one?

The IUPAC name of 1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazin-2-one (CID 121378566) is 1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazin-2-one.

What is the SMILES notation for 1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazin-2-one?

The canonical SMILES for 1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazin-2-one is CCC(CC)n1cc(-c2nc(-c3cnn(CCN4CCNCC4=O)c3)cn3nccc23)cn1.

What is the InChIKey of 1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazin-2-one?

The InChIKey is KITCYDCXSZDXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N9O/c1-3-19(4-2)31-15-18(12-27-31)23-21-5-6-25-32(21)16-20(28-23)17-11-26-30(14-17)10-9-29-8-7-24-13-22(29)33/h5-6,11-12,14-16,19,24H,3-4,7-10,13H2,1-2H3.

What are the key properties of 1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazin-2-one?

1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazin-2-one has a molecular weight of 447.55 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperazin-2-one is sourced from PubChem (CID 121378566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).