[2-oxo-2-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethyl]carbamic acid

C25H31N9O3 — CID 121378278

About [2-oxo-2-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethyl]carbamic acid

[2-oxo-2-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethyl]carbamic acid (PubChem CID 121378278) has the molecular formula C25H31N9O3 and a molecular weight of 505.58 g/mol. Its IUPAC name is [2-oxo-2-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethyl]carbamic acid.

Molecular Properties

• Compound Name: [2-oxo-2-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethyl]carbamic acid
• PubChem CID: 121378278
• Molecular Formula: C25H31N9O3
• Molecular Weight: 505.58 g/mol
• Exact Mass: 505.25
• IUPAC Name: [2-oxo-2-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethyl]carbamic acid
• SMILES: CCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(C(=O)CNC(=O)O)CC4)c3)cn3nccc23)cn1
• InChI: InChI=1S/C25H31N9O3/c1-3-19(4-2)32-15-18(12-29-32)24-22-5-8-27-34(22)16-21(30-24)17-11-28-33(14-17)20-6-9-31(10-7-20)23(35)13-26-25(36)37/h5,8,11-12,14-16,19-20,26H,3-4,6-7,9-10,13H2,1-2H3,(H,36,37)
• InChIKey: NXTYADPKGXHYQD-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 135.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.58
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [2-oxo-2-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethyl]carbamic acid (CID 121378278) is [2-oxo-2-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethyl]carbamic acid.

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

The canonical SMILES for [2-oxo-2-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethyl]carbamic acid is CCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(C(=O)CNC(=O)O)CC4)c3)cn3nccc23)cn1.

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

The InChIKey is NXTYADPKGXHYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N9O3/c1-3-19(4-2)32-15-18(12-29-32)24-22-5-8-27-34(22)16-21(30-24)17-11-28-33(14-17)20-6-9-31(10-7-20)23(35)13-26-25(36)37/h5,8,11-12,14-16,19-20,26H,3-4,6-7,9-10,13H2,1-2H3,(H,36,37).

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

[2-oxo-2-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethyl]carbamic acid has a molecular weight of 505.58 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethyl]carbamic acid is sourced from PubChem (CID 121378278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).