5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one

C23H18ClN5O2 — CID 27372673

IUPAC5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(Cl)c5)no4)ccn3n2)cc1
InChIInChI=1S/C23H18ClN5O2/c1-2-15-6-8-16(9-7-15)19-13-20-23(30)28(10-11-29(20)26-19)14-21-25-22(27-31-21)17-4-3-5-18(24)12-17/h3-13H,2,14H2,1H3
InChIKeySPVXLTKXMKQRJN-UHFFFAOYSA-N
MW431.88 g/mol
LogP4.48
Rot. Bonds5

About 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one

5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27372673) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27372673
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC Name5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(Cl)c5)no4)ccn3n2)cc1
InChIInChI=1S/C23H18ClN5O2/c1-2-15-6-8-16(9-7-15)19-13-20-23(30)28(10-11-29(20)26-19)14-21-25-22(27-31-21)17-4-3-5-18(24)12-17/h3-13H,2,14H2,1H3
InChIKeySPVXLTKXMKQRJN-UHFFFAOYSA-N
XLogP4.48
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 27372673) is 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one is CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(Cl)c5)no4)ccn3n2)cc1.
What is the InChIKey of 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is SPVXLTKXMKQRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c1-2-15-6-8-16(9-7-15)19-13-20-23(30)28(10-11-29(20)26-19)14-21-25-22(27-31-21)17-4-3-5-18(24)12-17/h3-13H,2,14H2,1H3.
What are the key properties of 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 431.88 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27372673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).