2-[2-[3-(3-methoxybenzoyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C24H19N5O3 — CID 59723243

About 2-[2-[3-(3-methoxybenzoyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[2-[3-(3-methoxybenzoyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59723243) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is 2-[2-[3-(3-methoxybenzoyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 2-[2-[3-(3-methoxybenzoyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 59723243
• Molecular Formula: C24H19N5O3
• Molecular Weight: 425.45 g/mol
• Exact Mass: 425.15
• IUPAC Name: 2-[2-[3-(3-methoxybenzoyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• SMILES: COc1cccc(C(=O)c2cccc(-c3nccc(-c4cc5n(n4)CCNC5=O)n3)c2)c1
• InChI: InChI=1S/C24H19N5O3/c1-32-18-7-3-5-16(13-18)22(30)15-4-2-6-17(12-15)23-25-9-8-19(27-23)20-14-21-24(31)26-10-11-29(21)28-20/h2-9,12-14H,10-11H2,1H3,(H,26,31)
• InChIKey: FUNIOAZFLAUQPC-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 99.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.45
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3-methoxybenzoyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 2-[2-[3-(3-methoxybenzoyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59723243) is 2-[2-[3-(3-methoxybenzoyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 2-[2-[3-(3-methoxybenzoyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 2-[2-[3-(3-methoxybenzoyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is COc1cccc(C(=O)c2cccc(-c3nccc(-c4cc5n(n4)CCNC5=O)n3)c2)c1.

What is the InChIKey of 2-[2-[3-(3-methoxybenzoyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is FUNIOAZFLAUQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3/c1-32-18-7-3-5-16(13-18)22(30)15-4-2-6-17(12-15)23-25-9-8-19(27-23)20-14-21-24(31)26-10-11-29(21)28-20/h2-9,12-14H,10-11H2,1H3,(H,26,31).

What are the key properties of 2-[2-[3-(3-methoxybenzoyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

2-[2-[3-(3-methoxybenzoyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 425.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-(3-methoxybenzoyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59723243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).