5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

C21H15ClN4O2S — CID 53043167

IUPAC5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1oc(-c2ccc(Cl)cc2)nc1Cn1ccn2nc(-c3cccs3)cc2c1=O
InChIInChI=1S/C21H15ClN4O2S/c1-13-17(23-20(28-13)14-4-6-15(22)7-5-14)12-25-8-9-26-18(21(25)27)11-16(24-26)19-3-2-10-29-19/h2-11H,12H2,1H3
InChIKeyPQOXTKHIGZTEMB-UHFFFAOYSA-N
MW422.90 g/mol
LogP4.89
Rot. Bonds4

About 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53043167) has the molecular formula C21H15ClN4O2S and a molecular weight of 422.90 g/mol. Its IUPAC name is 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID53043167
Molecular FormulaC21H15ClN4O2S
Molecular Weight422.90 g/mol
Exact Mass422.06
IUPAC Name5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1oc(-c2ccc(Cl)cc2)nc1Cn1ccn2nc(-c3cccs3)cc2c1=O
InChIInChI=1S/C21H15ClN4O2S/c1-13-17(23-20(28-13)14-4-6-15(22)7-5-14)12-25-8-9-26-18(21(25)27)11-16(24-26)19-3-2-10-29-19/h2-11H,12H2,1H3
InChIKeyPQOXTKHIGZTEMB-UHFFFAOYSA-N
XLogP4.89
TPSA65.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.90
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53092968
5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53092975
2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53093080
2-(3,4-dimethylphenyl)-5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 27371170
2-(4-ethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53093005
2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53210695
5-[(2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
CID 53043180
5-(3-methylbut-2-enyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
CID 154854226
5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 27372325
1-(3,4-difluorophenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione
CID 155977246
5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894106
4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (CID 53043167) is 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is Cc1oc(-c2ccc(Cl)cc2)nc1Cn1ccn2nc(-c3cccs3)cc2c1=O.
What is the InChIKey of 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is PQOXTKHIGZTEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O2S/c1-13-17(23-20(28-13)14-4-6-15(22)7-5-14)12-25-8-9-26-18(21(25)27)11-16(24-26)19-3-2-10-29-19/h2-11H,12H2,1H3.
What are the key properties of 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 422.90 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53043167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).