N-(3-cyanophenyl)-4-oxo-5-[4-[[2-(2-oxoethyl)phenyl]methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

C29H23N5O3 — CID 170713525

About N-(3-cyanophenyl)-4-oxo-5-[4-[[2-(2-oxoethyl)phenyl]methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

N-(3-cyanophenyl)-4-oxo-5-[4-[[2-(2-oxoethyl)phenyl]methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 170713525) has the molecular formula C29H23N5O3 and a molecular weight of 489.54 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-oxo-5-[4-[[2-(2-oxoethyl)phenyl]methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-cyanophenyl)-4-oxo-5-[4-[[2-(2-oxoethyl)phenyl]methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• PubChem CID: 170713525
• Molecular Formula: C29H23N5O3
• Molecular Weight: 489.54 g/mol
• Exact Mass: 489.18
• IUPAC Name: N-(3-cyanophenyl)-4-oxo-5-[4-[[2-(2-oxoethyl)phenyl]methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• SMILES: N#Cc1cccc(NC(=O)c2cnn3c2C(=O)N(c2ccc(Cc4ccccc4CC=O)cc2)CC3)c1
• InChI: InChI=1S/C29H23N5O3/c30-18-21-4-3-7-24(17-21)32-28(36)26-19-31-34-14-13-33(29(37)27(26)34)25-10-8-20(9-11-25)16-23-6-2-1-5-22(23)12-15-35/h1-11,15,17,19H,12-14,16H2,(H,32,36)
• InChIKey: OUPJDZTXSAPLCV-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 108.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.54
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-oxo-5-[4-[[2-(2-oxoethyl)phenyl]methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The IUPAC name of N-(3-cyanophenyl)-4-oxo-5-[4-[[2-(2-oxoethyl)phenyl]methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 170713525) is N-(3-cyanophenyl)-4-oxo-5-[4-[[2-(2-oxoethyl)phenyl]methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

What is the SMILES notation for N-(3-cyanophenyl)-4-oxo-5-[4-[[2-(2-oxoethyl)phenyl]methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The canonical SMILES for N-(3-cyanophenyl)-4-oxo-5-[4-[[2-(2-oxoethyl)phenyl]methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is N#Cc1cccc(NC(=O)c2cnn3c2C(=O)N(c2ccc(Cc4ccccc4CC=O)cc2)CC3)c1.

What is the InChIKey of N-(3-cyanophenyl)-4-oxo-5-[4-[[2-(2-oxoethyl)phenyl]methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The InChIKey is OUPJDZTXSAPLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5O3/c30-18-21-4-3-7-24(17-21)32-28(36)26-19-31-34-14-13-33(29(37)27(26)34)25-10-8-20(9-11-25)16-23-6-2-1-5-22(23)12-15-35/h1-11,15,17,19H,12-14,16H2,(H,32,36).

What are the key properties of N-(3-cyanophenyl)-4-oxo-5-[4-[[2-(2-oxoethyl)phenyl]methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

N-(3-cyanophenyl)-4-oxo-5-[4-[[2-(2-oxoethyl)phenyl]methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyanophenyl)-4-oxo-5-[4-[[2-(2-oxoethyl)phenyl]methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 170713525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).