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

C22H17N5O2 — CID 27372312

IUPAC5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cccc(-c2noc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)n2)c1
InChIInChI=1S/C22H17N5O2/c1-15-6-5-9-17(12-15)21-23-20(29-25-21)14-26-10-11-27-19(22(26)28)13-18(24-27)16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKeyOOKNRTCXXDMKFG-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.57
Rot. Bonds4

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

5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27372312) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID27372312
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cccc(-c2noc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)n2)c1
InChIInChI=1S/C22H17N5O2/c1-15-6-5-9-17(12-15)21-23-20(29-25-21)14-26-10-11-27-19(22(26)28)13-18(24-27)16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKeyOOKNRTCXXDMKFG-UHFFFAOYSA-N
XLogP3.57
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53076177
5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 27372876
5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 27372325
2-naphthalen-1-yl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53076279
5-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53076222
2-(4-butoxyphenyl)-5-[[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53076258
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-(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-(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
2-(4-chlorophenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 71821128
1-(2,6-dimethylphenyl)-4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2,3-dione
CID 53157898
5-[[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53076246

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one (CID 27372312) is 5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one is Cc1cccc(-c2noc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)n2)c1.
What is the InChIKey of 5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is OOKNRTCXXDMKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c1-15-6-5-9-17(12-15)21-23-20(29-25-21)14-26-10-11-27-19(22(26)28)13-18(24-27)16-7-3-2-4-8-16/h2-13H,14H2,1H3.
What are the key properties of 5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 383.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27372312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).