6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazin-4-one

C13H8F3N3O2 — CID 71765458

IUPAC6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1[nH]c(-c2ccc(OC(F)(F)F)cc2)cn2nccc12
InChIInChI=1S/C13H8F3N3O2/c14-13(15,16)21-9-3-1-8(2-4-9)10-7-19-11(5-6-17-19)12(20)18-10/h1-7H,(H,18,20)
InChIKeyHHQYMKWXTSBMPV-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.59
Rot. Bonds2

About 6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazin-4-one

6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 71765458) has the molecular formula C13H8F3N3O2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID71765458
Molecular FormulaC13H8F3N3O2
Molecular Weight295.22 g/mol
Exact Mass295.06
IUPAC Name6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1[nH]c(-c2ccc(OC(F)(F)F)cc2)cn2nccc12
InChIInChI=1S/C13H8F3N3O2/c14-13(15,16)21-9-3-1-8(2-4-9)10-7-19-11(5-6-17-19)12(20)18-10/h1-7H,(H,18,20)
InChIKeyHHQYMKWXTSBMPV-UHFFFAOYSA-N
XLogP2.59
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 71765458) is 6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazin-4-one is O=c1[nH]c(-c2ccc(OC(F)(F)F)cc2)cn2nccc12.
What is the InChIKey of 6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is HHQYMKWXTSBMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O2/c14-13(15,16)21-9-3-1-8(2-4-9)10-7-19-11(5-6-17-19)12(20)18-10/h1-7H,(H,18,20).
What are the key properties of 6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazin-4-one?
6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 295.22 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 71765458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).