5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one

C21H17F2N3O3 — CID 91894074

IUPAC5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(Cn2ccn3nc(-c4cccc(F)c4)c(CO)c3c2=O)cc1F
InChIInChI=1S/C21H17F2N3O3/c1-29-18-6-5-13(9-17(18)23)11-25-7-8-26-20(21(25)28)16(12-27)19(24-26)14-3-2-4-15(22)10-14/h2-10,27H,11-12H2,1H3
InChIKeyRYFJDYPRWPBNGR-UHFFFAOYSA-N
MW397.38 g/mol
LogP2.99
Rot. Bonds5

About 5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one

5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91894074) has the molecular formula C21H17F2N3O3 and a molecular weight of 397.38 g/mol. Its IUPAC name is 5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91894074
Molecular FormulaC21H17F2N3O3
Molecular Weight397.38 g/mol
Exact Mass397.12
IUPAC Name5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(Cn2ccn3nc(-c4cccc(F)c4)c(CO)c3c2=O)cc1F
InChIInChI=1S/C21H17F2N3O3/c1-29-18-6-5-13(9-17(18)23)11-25-7-8-26-20(21(25)28)16(12-27)19(24-26)14-3-2-4-15(22)10-14/h2-10,27H,11-12H2,1H3
InChIKeyRYFJDYPRWPBNGR-UHFFFAOYSA-N
XLogP2.99
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893880
5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894080
5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893882
5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894143
5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894044
3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894146
2-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91913703
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione
CID 95917526
5-[(4-ethenylphenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894130
3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91893949
2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 91887377
3-(hydroxymethyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893848

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one (CID 91894074) is 5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one is COc1ccc(Cn2ccn3nc(-c4cccc(F)c4)c(CO)c3c2=O)cc1F.
What is the InChIKey of 5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is RYFJDYPRWPBNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O3/c1-29-18-6-5-13(9-17(18)23)11-25-7-8-26-20(21(25)28)16(12-27)19(24-26)14-3-2-4-15(22)10-14/h2-10,27H,11-12H2,1H3.
What are the key properties of 5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 397.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91894074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).