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

C22H16F3N5O3 — CID 174204932

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

N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 174204932) has the molecular formula C22H16F3N5O3 and a molecular weight of 455.40 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• PubChem CID: 174204932
• Molecular Formula: C22H16F3N5O3
• Molecular Weight: 455.40 g/mol
• Exact Mass: 455.12
• IUPAC Name: N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• SMILES: CC1Cn2ncc(C(=O)Nc3cccc(C#N)c3)c2C(=O)N1c1ccc(OC(F)(F)F)cc1
• InChI: InChI=1S/C22H16F3N5O3/c1-13-12-29-19(18(11-27-29)20(31)28-15-4-2-3-14(9-15)10-26)21(32)30(13)16-5-7-17(8-6-16)33-22(23,24)25/h2-9,11,13H,12H2,1H3,(H,28,31)
• InChIKey: VGDQALZNZVVWIK-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 100.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.40
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 174204932) is N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

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

The canonical SMILES for N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is CC1Cn2ncc(C(=O)Nc3cccc(C#N)c3)c2C(=O)N1c1ccc(OC(F)(F)F)cc1.

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

The InChIKey is VGDQALZNZVVWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O3/c1-13-12-29-19(18(11-27-29)20(31)28-15-4-2-3-14(9-15)10-26)21(32)30(13)16-5-7-17(8-6-16)33-22(23,24)25/h2-9,11,13H,12H2,1H3,(H,28,31).

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

N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 455.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 174204932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).