5-(3,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C19H15F2N3O2 — CID 67973817

IUPAC5-(3,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3ccccc3)nn2CCN1c1ccc(F)c(F)c1
InChIInChI=1S/C19H15F2N3O2/c20-16-7-6-14(11-17(16)21)23-8-9-24-18(19(23)25)10-13(22-24)12-26-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2
InChIKeyOMFTWDFSWRQXKP-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.40
Rot. Bonds4

About 5-(3,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(3,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67973817) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67973817
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC Name5-(3,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3ccccc3)nn2CCN1c1ccc(F)c(F)c1
InChIInChI=1S/C19H15F2N3O2/c20-16-7-6-14(11-17(16)21)23-8-9-24-18(19(23)25)10-13(22-24)12-26-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2
InChIKeyOMFTWDFSWRQXKP-UHFFFAOYSA-N
XLogP3.40
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(3,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67973817) is 5-(3,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(3,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(3,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(COc3ccccc3)nn2CCN1c1ccc(F)c(F)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is OMFTWDFSWRQXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c20-16-7-6-14(11-17(16)21)23-8-9-24-18(19(23)25)10-13(22-24)12-26-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2.
What are the key properties of 5-(3,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(3,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 355.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67973817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).