2-(1,3-benzodioxol-5-yl)-5-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one

C20H13F2N3O3 — CID 53332204

IUPAC2-(1,3-benzodioxol-5-yl)-5-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3ccc4c(c3)OCO4)nn2ccn1Cc1ccc(F)c(F)c1
InChIInChI=1S/C20H13F2N3O3/c21-14-3-1-12(7-15(14)22)10-24-5-6-25-17(20(24)26)9-16(23-25)13-2-4-18-19(8-13)28-11-27-18/h1-9H,10-11H2
InChIKeyDUPASABYXUTKQF-UHFFFAOYSA-N
MW381.34 g/mol
LogP3.22
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-5-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one

2-(1,3-benzodioxol-5-yl)-5-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53332204) has the molecular formula C20H13F2N3O3 and a molecular weight of 381.34 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-5-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-5-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID53332204
Molecular FormulaC20H13F2N3O3
Molecular Weight381.34 g/mol
Exact Mass381.09
IUPAC Name2-(1,3-benzodioxol-5-yl)-5-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3ccc4c(c3)OCO4)nn2ccn1Cc1ccc(F)c(F)c1
InChIInChI=1S/C20H13F2N3O3/c21-14-3-1-12(7-15(14)22)10-24-5-6-25-17(20(24)26)9-16(23-25)13-2-4-18-19(8-13)28-11-27-18/h1-9H,10-11H2
InChIKeyDUPASABYXUTKQF-UHFFFAOYSA-N
XLogP3.22
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzodioxol-5-yl)-5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53076196
5-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 99743797
5-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 155977230
1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)methyl]pyrazine-2,3-dione
CID 95917617
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956872
5-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53180204
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332247
5-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 45498884
2-[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 50795706
2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 27371178
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 91892860
2-(3-chloro-4-ethoxyphenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53043141

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 53332204) is 2-(1,3-benzodioxol-5-yl)-5-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-5-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-5-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one is O=c1c2cc(-c3ccc4c(c3)OCO4)nn2ccn1Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-5-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is DUPASABYXUTKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O3/c21-14-3-1-12(7-15(14)22)10-24-5-6-25-17(20(24)26)9-16(23-25)13-2-4-18-19(8-13)28-11-27-18/h1-9H,10-11H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-5-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(1,3-benzodioxol-5-yl)-5-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 381.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-5-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53332204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).