8-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decan-3-one

C21H26N4O2 — CID 70753586

About 8-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decan-3-one

8-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70753586) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 8-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

• Compound Name: 8-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decan-3-one
• PubChem CID: 70753586
• Molecular Formula: C21H26N4O2
• Molecular Weight: 366.47 g/mol
• Exact Mass: 366.21
• IUPAC Name: 8-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decan-3-one
• SMILES: Cc1cc(C)n(Cc2cccc(C(=O)N3CCC4(CC3)CNC(=O)C4)c2)n1
• InChI: InChI=1S/C21H26N4O2/c1-15-10-16(2)25(23-15)13-17-4-3-5-18(11-17)20(27)24-8-6-21(7-9-24)12-19(26)22-14-21/h3-5,10-11H,6-9,12-14H2,1-2H3,(H,22,26)
• InChIKey: FDVWSVRAIBVQEA-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.47
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decan-3-one?

The IUPAC name of 8-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decan-3-one (CID 70753586) is 8-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decan-3-one.

What is the SMILES notation for 8-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decan-3-one?

The canonical SMILES for 8-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decan-3-one is Cc1cc(C)n(Cc2cccc(C(=O)N3CCC4(CC3)CNC(=O)C4)c2)n1.

What is the InChIKey of 8-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decan-3-one?

The InChIKey is FDVWSVRAIBVQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-10-16(2)25(23-15)13-17-4-3-5-18(11-17)20(27)24-8-6-21(7-9-24)12-19(26)22-14-21/h3-5,10-11H,6-9,12-14H2,1-2H3,(H,22,26).

What are the key properties of 8-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decan-3-one?

8-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 366.47 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70753586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).