ethane;7-methyl-N-(2-methylpyridine-4-carbonyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

C24H24F3N5O3 — CID 145008175

About ethane;7-methyl-N-(2-methylpyridine-4-carbonyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

ethane;7-methyl-N-(2-methylpyridine-4-carbonyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 145008175) has the molecular formula C24H24F3N5O3 and a molecular weight of 487.48 g/mol. Its IUPAC name is ethane;7-methyl-N-(2-methylpyridine-4-carbonyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: ethane;7-methyl-N-(2-methylpyridine-4-carbonyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• PubChem CID: 145008175
• Molecular Formula: C24H24F3N5O3
• Molecular Weight: 487.48 g/mol
• Exact Mass: 487.18
• IUPAC Name: ethane;7-methyl-N-(2-methylpyridine-4-carbonyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• SMILES: CC.Cc1cc(C(=O)NC(=O)c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)CC3C)ccn1
• InChI: InChI=1S/C22H18F3N5O3.C2H6/c1-12-9-14(7-8-26-12)19(31)28-20(32)17-10-27-30-13(2)11-29(21(33)18(17)30)16-5-3-15(4-6-16)22(23,24)25;1-2/h3-10,13H,11H2,1-2H3,(H,28,31,32);1-2H3
• InChIKey: ZINYEBNNHSYHNS-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 97.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.48
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of ethane;7-methyl-N-(2-methylpyridine-4-carbonyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 145008175) is ethane;7-methyl-N-(2-methylpyridine-4-carbonyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

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

The canonical SMILES for ethane;7-methyl-N-(2-methylpyridine-4-carbonyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is CC.Cc1cc(C(=O)NC(=O)c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)CC3C)ccn1.

What is the InChIKey of ethane;7-methyl-N-(2-methylpyridine-4-carbonyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The InChIKey is ZINYEBNNHSYHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O3.C2H6/c1-12-9-14(7-8-26-12)19(31)28-20(32)17-10-27-30-13(2)11-29(21(33)18(17)30)16-5-3-15(4-6-16)22(23,24)25;1-2/h3-10,13H,11H2,1-2H3,(H,28,31,32);1-2H3.

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

ethane;7-methyl-N-(2-methylpyridine-4-carbonyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 487.48 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;7-methyl-N-(2-methylpyridine-4-carbonyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 145008175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).