6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C20H16F6N6O — CID 121484097

About 6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484097) has the molecular formula C20H16F6N6O and a molecular weight of 470.38 g/mol. Its IUPAC name is 6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• PubChem CID: 121484097
• Molecular Formula: C20H16F6N6O
• Molecular Weight: 470.38 g/mol
• Exact Mass: 470.13
• IUPAC Name: 6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• SMILES: CC1Cn2ncc(-c3cc(C(F)(F)F)ccn3)c2CN1C(=O)Nc1ccnc(C(F)(F)F)c1
• InChI: InChI=1S/C20H16F6N6O/c1-11-9-32-16(14(8-29-32)15-6-12(2-4-27-15)19(21,22)23)10-31(11)18(33)30-13-3-5-28-17(7-13)20(24,25)26/h2-8,11H,9-10H2,1H3,(H,28,30,33)
• InChIKey: GOWFUKVZLHBWLC-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.38
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The IUPAC name of 6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484097) is 6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

What is the SMILES notation for 6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The canonical SMILES for 6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CC1Cn2ncc(-c3cc(C(F)(F)F)ccn3)c2CN1C(=O)Nc1ccnc(C(F)(F)F)c1.

What is the InChIKey of 6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The InChIKey is GOWFUKVZLHBWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N6O/c1-11-9-32-16(14(8-29-32)15-6-12(2-4-27-15)19(21,22)23)10-31(11)18(33)30-13-3-5-28-17(7-13)20(24,25)26/h2-8,11H,9-10H2,1H3,(H,28,30,33).

What are the key properties of 6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 470.38 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).