9-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

C18H28N4O2 — CID 162630006

About 9-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

9-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162630006) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 9-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

• Compound Name: 9-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
• PubChem CID: 162630006
• Molecular Formula: C18H28N4O2
• Molecular Weight: 332.45 g/mol
• Exact Mass: 332.22
• IUPAC Name: 9-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
• SMILES: CC(C)N1CCCC2(CCCN2C(=O)c2cnn(C(C)C)c2)C1=O
• InChI: InChI=1S/C18H28N4O2/c1-13(2)20-9-5-7-18(17(20)24)8-6-10-21(18)16(23)15-11-19-22(12-15)14(3)4/h11-14H,5-10H2,1-4H3
• InChIKey: PDXZPCBLLOZNKA-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 58.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.45
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?

The IUPAC name of 9-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162630006) is 9-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.

What is the SMILES notation for 9-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?

The canonical SMILES for 9-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is CC(C)N1CCCC2(CCCN2C(=O)c2cnn(C(C)C)c2)C1=O.

What is the InChIKey of 9-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?

The InChIKey is PDXZPCBLLOZNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(2)20-9-5-7-18(17(20)24)8-6-10-21(18)16(23)15-11-19-22(12-15)14(3)4/h11-14H,5-10H2,1-4H3.

What are the key properties of 9-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?

9-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 332.45 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162630006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).