2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C17H12F3N5O — CID 59723149

About 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59723149) has the molecular formula C17H12F3N5O and a molecular weight of 359.31 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 59723149
• Molecular Formula: C17H12F3N5O
• Molecular Weight: 359.31 g/mol
• Exact Mass: 359.10
• IUPAC Name: 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• SMILES: O=C1NCCn2nc(-c3ccnc(-c4ccc(C(F)(F)F)cc4)n3)cc21
• InChI: InChI=1S/C17H12F3N5O/c18-17(19,20)11-3-1-10(2-4-11)15-21-6-5-12(23-15)13-9-14-16(26)22-7-8-25(14)24-13/h1-6,9H,7-8H2,(H,22,26)
• InChIKey: RHQIXNTYRZCLEC-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.31
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59723149) is 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCCn2nc(-c3ccnc(-c4ccc(C(F)(F)F)cc4)n3)cc21.

What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is RHQIXNTYRZCLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O/c18-17(19,20)11-3-1-10(2-4-11)15-21-6-5-12(23-15)13-9-14-16(26)22-7-8-25(14)24-13/h1-6,9H,7-8H2,(H,22,26).

What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 359.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59723149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).