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

C23H19N5O4 — CID 91893848

IUPAC3-(hydroxymethyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2noc(Cn3ccn4nc(-c5ccccc5)c(CO)c4c3=O)n2)cc1
InChIInChI=1S/C23H19N5O4/c1-31-17-9-7-16(8-10-17)22-24-19(32-26-22)13-27-11-12-28-21(23(27)30)18(14-29)20(25-28)15-5-3-2-4-6-15/h2-12,29H,13-14H2,1H3
InChIKeyVVTHDGRBHCRPDJ-UHFFFAOYSA-N
MW429.44 g/mol
LogP2.76
Rot. Bonds6

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

3-(hydroxymethyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91893848) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is 3-(hydroxymethyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID91893848
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC Name3-(hydroxymethyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2noc(Cn3ccn4nc(-c5ccccc5)c(CO)c4c3=O)n2)cc1
InChIInChI=1S/C23H19N5O4/c1-31-17-9-7-16(8-10-17)22-24-19(32-26-22)13-27-11-12-28-21(23(27)30)18(14-29)20(25-28)15-5-3-2-4-6-15/h2-12,29H,13-14H2,1H3
InChIKeyVVTHDGRBHCRPDJ-UHFFFAOYSA-N
XLogP2.76
TPSA107.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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-(4-fluorophenyl)-3-(hydroxymethyl)-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91893897
3-(hydroxymethyl)-5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893843
5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-(hydroxymethyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894018
3-(hydroxymethyl)-2-phenyl-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91893846
3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894146
3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91887199
N-butyl-2-[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91893981
5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893882
2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 91887377
1-(4-chlorophenyl)-4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2,3-dione
CID 53157863
5-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53076232

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-(hydroxymethyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one (CID 91893848) is 3-(hydroxymethyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-(hydroxymethyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-(hydroxymethyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one is COc1ccc(-c2noc(Cn3ccn4nc(-c5ccccc5)c(CO)c4c3=O)n2)cc1.
What is the InChIKey of 3-(hydroxymethyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VVTHDGRBHCRPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4/c1-31-17-9-7-16(8-10-17)22-24-19(32-26-22)13-27-11-12-28-21(23(27)30)18(14-29)20(25-28)15-5-3-2-4-6-15/h2-12,29H,13-14H2,1H3.
What are the key properties of 3-(hydroxymethyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
3-(hydroxymethyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 429.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91893848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).