5-[(3-chlorophenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C24H29ClN4O2 — CID 46077251

About 5-[(3-chlorophenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[(3-chlorophenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 46077251) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 5-[(3-chlorophenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 46077251
• Molecular Formula: C24H29ClN4O2
• Molecular Weight: 440.98 g/mol
• Exact Mass: 440.20
• IUPAC Name: 5-[(3-chlorophenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: CC1(C)CC2CC(C)(CN2C(=O)c2cc3n(n2)CCN(Cc2cccc(Cl)c2)C3=O)C1
• InChI: InChI=1S/C24H29ClN4O2/c1-23(2)11-18-12-24(3,14-23)15-28(18)21(30)19-10-20-22(31)27(7-8-29(20)26-19)13-16-5-4-6-17(25)9-16/h4-6,9-10,18H,7-8,11-15H2,1-3H3
• InChIKey: DABUENFUKMILGY-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 58.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.98
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 5-[(3-chlorophenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 46077251) is 5-[(3-chlorophenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 5-[(3-chlorophenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CC1(C)CC2CC(C)(CN2C(=O)c2cc3n(n2)CCN(Cc2cccc(Cl)c2)C3=O)C1.

What is the InChIKey of 5-[(3-chlorophenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is DABUENFUKMILGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-23(2)11-18-12-24(3,14-23)15-28(18)21(30)19-10-20-22(31)27(7-8-29(20)26-19)13-16-5-4-6-17(25)9-16/h4-6,9-10,18H,7-8,11-15H2,1-3H3.

What are the key properties of 5-[(3-chlorophenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

5-[(3-chlorophenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 440.98 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-chlorophenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 46077251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).