5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one

C20H15F2N3O2 — CID 91893882

IUPAC5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2c(CO)c(-c3ccccc3)nn2ccn1Cc1ccc(F)cc1F
InChIInChI=1S/C20H15F2N3O2/c21-15-7-6-14(17(22)10-15)11-24-8-9-25-19(20(24)27)16(12-26)18(23-25)13-4-2-1-3-5-13/h1-10,26H,11-12H2
InChIKeyXSXAQMDDKPYLIM-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.98
Rot. Bonds4

About 5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one

5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91893882) has the molecular formula C20H15F2N3O2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID91893882
Molecular FormulaC20H15F2N3O2
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2c(CO)c(-c3ccccc3)nn2ccn1Cc1ccc(F)cc1F
InChIInChI=1S/C20H15F2N3O2/c21-15-7-6-14(17(22)10-15)11-24-8-9-25-19(20(24)27)16(12-26)18(23-25)13-4-2-1-3-5-13/h1-10,26H,11-12H2
InChIKeyXSXAQMDDKPYLIM-UHFFFAOYSA-N
XLogP2.98
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894143
5-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893880
2-(4-fluorophenyl)-3-(hydroxymethyl)-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91893897
2-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91913703
3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91887199
3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894146
5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894074
2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide
CID 91903896
3-(hydroxymethyl)-5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893843
3-(hydroxymethyl)-2-phenyl-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91893846
5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894080
N-tert-butyl-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91913713

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one (CID 91893882) is 5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one is O=c1c2c(CO)c(-c3ccccc3)nn2ccn1Cc1ccc(F)cc1F.
What is the InChIKey of 5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is XSXAQMDDKPYLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2/c21-15-7-6-14(17(22)10-15)11-24-8-9-25-19(20(24)27)16(12-26)18(23-25)13-4-2-1-3-5-13/h1-10,26H,11-12H2.
What are the key properties of 5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 367.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91893882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).