(7S)-5-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C14H13F3N4O2 — CID 118694192

About (7S)-5-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7S)-5-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118694192) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is (7S)-5-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: (7S)-5-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 118694192
• Molecular Formula: C14H13F3N4O2
• Molecular Weight: 326.28 g/mol
• Exact Mass: 326.10
• IUPAC Name: (7S)-5-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: COc1nc(N2C[C@H](C)n3nccc3C2=O)ccc1C(F)(F)F
• InChI: InChI=1S/C14H13F3N4O2/c1-8-7-20(13(22)10-5-6-18-21(8)10)11-4-3-9(14(15,16)17)12(19-11)23-2/h3-6,8H,7H2,1-2H3/t8-/m0/s1
• InChIKey: PAFBLHUHCYFECW-QMMMGPOBSA-N
• XLogP: 2.53
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.28
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7S)-5-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of (7S)-5-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118694192) is (7S)-5-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for (7S)-5-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for (7S)-5-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1nc(N2C[C@H](C)n3nccc3C2=O)ccc1C(F)(F)F.

What is the InChIKey of (7S)-5-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is PAFBLHUHCYFECW-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c1-8-7-20(13(22)10-5-6-18-21(8)10)11-4-3-9(14(15,16)17)12(19-11)23-2/h3-6,8H,7H2,1-2H3/t8-/m0/s1.

What are the key properties of (7S)-5-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

(7S)-5-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 326.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-5-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118694192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).