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

C22H20F3N5O3 — CID 118694278

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

7-(methoxymethyl)-N-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 118694278) has the molecular formula C22H20F3N5O3 and a molecular weight of 459.43 g/mol. Its IUPAC name is 7-(methoxymethyl)-N-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(methoxymethyl)-N-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• PubChem CID: 118694278
• Molecular Formula: C22H20F3N5O3
• Molecular Weight: 459.43 g/mol
• Exact Mass: 459.15
• IUPAC Name: 7-(methoxymethyl)-N-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• SMILES: COCC1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(C(=O)Nc3ccnc(C)c3)cnn21
• InChI: InChI=1S/C22H20F3N5O3/c1-13-9-15(7-8-26-13)28-20(31)18-10-27-30-17(12-33-2)11-29(21(32)19(18)30)16-5-3-14(4-6-16)22(23,24)25/h3-10,17H,11-12H2,1-2H3,(H,26,28,31)
• InChIKey: HTTBGWJIELFVMH-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.43
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-(methoxymethyl)-N-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 118694278) is 7-(methoxymethyl)-N-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

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

The canonical SMILES for 7-(methoxymethyl)-N-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is COCC1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(C(=O)Nc3ccnc(C)c3)cnn21.

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

The InChIKey is HTTBGWJIELFVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O3/c1-13-9-15(7-8-26-13)28-20(31)18-10-27-30-17(12-33-2)11-29(21(32)19(18)30)16-5-3-14(4-6-16)22(23,24)25/h3-10,17H,11-12H2,1-2H3,(H,26,28,31).

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

7-(methoxymethyl)-N-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 459.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(methoxymethyl)-N-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 118694278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).